Pentachlorophenol supplier

Name
Pentachlorophenol
EINECS 87-86-5
CAS No. 87-86-5
Article Data93
CAS DataBase
Density 1.804 g/cm³
Solubility Slightly soluble in water.
Melting Point 165-180 °C(lit.)
Formula C₆Cl₅OH
Boiling Point 309.5 °C at 760 mmHg
Molecular Weight 266.338
Flash Point 133.7 °C
Transport Information UN 3155 6.1/PG 2
Appearance odourless white or light brown powder or crystals
Safety 22-36/37-45-52-60-61-16-7
Risk Codes 24/25-26-36/37/38-40-50/53
Molecular Structure
Hazard Symbols T+; N; Xn
Synonyms Phenol,pentachloro- (8CI,9CI);1-Hydroxy-2,3,4,5,6-pentachlorobenzene;1-Hydroxypentachlorobenzene;Chlon;Chlorophenasicacid;Dowicide 7;Dowicide EC 7;Dura Treet II;EP 30;EP 30 (pesticide);Fungifen;Grundier Arbezol;Lauxtol;Liroprem;NSC 263497;PCP(pesticide);Penchlorol;Penta;Pentachlorophenol;Penton 70;Pentor 70;Perchlorophenol;Permasan;Pol Nu;Pole topper;Pole topper fluid;Preventol P;Santophen 20;Satophen;Witophen P;Woodtreat A;
PSA 20.23000
LogP 4.65920

Synthetic route

: 108-95-2
phenol

A: 87-86-5
Pentachlorophenol

B: 58-90-2
2,3,4,6-tetrachlorophenol

Conditions

Conditions	Yield
With chlorine; aluminum (III) chloride at 100 - 180℃; for 10.8333h; Product distribution / selectivity;	A 83% B 10%
With chlorine; nickel; aluminum (III) chloride at 90 - 180℃; for 10h; Product distribution / selectivity;	A 79% B 20%

: 88-06-2
2,4,6-Trichlorophenol

A: 87-86-5
Pentachlorophenol

B: 58-90-2
2,3,4,6-tetrachlorophenol

Conditions

Conditions	Yield
With chlorine; nickel; aluminum (III) chloride at 90 - 180℃; for 4.16667 - 4.66667h; Product distribution / selectivity;	A 80% B 10%
Stage #1: 2,4,6-Trichlorophenol With chlorine; aluminum (III) chloride at 105 - 183℃; Stage #2: With phenol at 180 - 190℃; Product distribution / selectivity;	A 80% B 10%
With chlorine; aluminum (III) chloride at 105 - 190℃; for 3.66667 - 4.83333h; Product distribution / selectivity;	A 77% B 10%

: 62269-80-1
pentachlorophenol-TMS

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With nano magnetic sulfated zirconia (Fe3O4 at ZrO2/SO42-) In neat (no solvent) at 20℃; for 0.833333h; Green chemistry;	80%

: 17540-48-6
2,3,4,5,6-pentachloro-4-(pentachlorophenoxy)-2,5-cyclohexadienone

A: 87-86-5
Pentachlorophenol

B: 21567-21-5
2,3,5,6-tetrachloro-4-(2,3,4,5,6-pentachlorophenoxy)phenol

C: 35245-80-8
3,4,5,6-tetrachloro-2-(2,3,4,5,6-pentachlorophenoxy)phenol

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol; benzene for 1h; Ambient temperature;	A 4 % Chromat. B 52.6% C 26 % Chromat.

...Expand

: 82-68-8
Quintozene

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With sodium hydroxide In water for 3h; Heating;	50%

: 56-23-5
tetrachloromethane

: 626-02-8
3-Iodophenol

A: 87-86-5
Pentachlorophenol

B: 846042-42-0
2,4,6-trichloro-3-iodo-phenol

C: 2,3,4,6-tetrachloro-5-iodo-phenol

Conditions

Conditions	Yield
at 60 - 70℃; Einleiten von Chlor;

...Expand

: 108-73-6
3,5-dihydroxyphenol

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With chlorosulfonic acid at 150 - 160℃;

: 64-17-5
ethanol

: 599-52-0
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

: 87-86-5
Pentachlorophenol

: 540-38-5
4-Iodophenol

A: 87-86-5
Pentachlorophenol

B: tetrachloroiodophenol

Conditions

Conditions	Yield
With tetrachloromethane; chlorine at 50℃;

: 591-35-5
3,5-dichlorophenol

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With chlorine

: 118-74-1
hexachlorobenzene

: 124-41-4
sodium methylate

A: 87-86-5
Pentachlorophenol

B: 1825-21-4
Pentachloroanisole

Conditions

Conditions	Yield
at 180℃; im Rohr;
at 180℃; im Rohr;

...Expand

: 118-74-1
hexachlorobenzene

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With sodium hydroxide; glycerol at 250 - 280℃;
With sodium hydroxide at 250℃;
With sodium hydroxide; tert-butyl alcohol at 135℃;
With sodium hydroxide; ethylene glycol at 200℃;
With sodium hydroxide at 135℃;

: 118-74-1
hexachlorobenzene

A: 87-86-5
Pentachlorophenol

B: 1825-21-4
Pentachloroanisole

Conditions

Conditions	Yield
With sodium methylate at 180℃; im Rohr;

: 626-02-8
3-Iodophenol

A: 87-86-5
Pentachlorophenol

B: 2,3,4,6-tetrachloro-5-iodo-phenol

Conditions

Conditions	Yield
With tetrachloromethane at 60 - 70℃; Einleiten von Chlor;

: 4901-51-3
2,3,4,5-tetrachlorophenol

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With aluminium trichloride; chlorine; iron at 120 - 195℃;

: 599-52-0
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid; tin(ll) chloride
With carbon disulfide; aluminium trichloride; acetyl chloride Verseifung des Reaktionsprodukts;
With potassium iodide

: 599-52-0
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

A: 87-86-5
Pentachlorophenol

B: 118-75-2
chloranil

Conditions

Conditions	Yield
With hydrogenchloride
With aluminium trichloride at 160℃; im Druckrohr;

: 4024-81-1
2,3,4,4,5,5,6,6-octachloro-2-cyclohexenone

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
durch Reduktion;

: 7462-04-6
2,3,4,4,5,6,6-heptachloro-cyclohex-2-enone

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With acetone
With potassium acetate; acetic acid
With sodium acetate; acetic acid

: 527-20-8
2,3,4,5,6-pentachloroaniline

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite at 180℃;

: 846042-42-0
2,4,6-trichloro-3-iodo-phenol

A: 87-86-5
Pentachlorophenol

B: 2,3,4,6-tetrachloro-5-iodo-phenol

Conditions

Conditions	Yield
With tetrachloromethane at 60 - 70℃; Einleiten von Chlor;

: 38983-95-8
4,5,6-trihydroxy-benzene-1,3-disulfonic acid

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With thionyl chloride at 100℃; im Rohr;

: 599-52-0
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

: 107-21-1
ethylene glycol

: 87-86-5
Pentachlorophenol

: 599-52-0
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

: 64-19-7
acetic acid

: 87-86-5
Pentachlorophenol

: 7462-04-6
2,3,4,4,5,6,6-heptachloro-cyclohex-2-enone

: 127-08-2
potassium acetate

: 64-19-7
acetic acid

: 87-86-5
Pentachlorophenol

...Expand

: 123-31-9
hydroquinone

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With chlorosulfonic acid at 150 - 160℃;

: 88-06-2
2,4,6-Trichlorophenol

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With antimony(III) chloride; chlorine at 200 - 220℃;
With aluminium trichloride; chlorine; 1,2-dichloro-ethane at 70 - 85℃;
With aluminium trichloride; chlorine; 1,1,2,2-tetrachloroethane at 70 - 85℃;
With tetrachloromethane; chlorine; iron(III) chloride at 20 - 25℃;
With aluminium trichloride; chlorine at 100 - 190℃;

: 87-66-1
2-hydroxyresorcinol

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With chlorosulfonic acid at 150℃;

: 71-43-2
benzene

: 87-86-5
Pentachlorophenol

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid Electrolysis;

: 87-86-5
Pentachlorophenol

: 102386-32-3
Succinic acid mono-[(2R,3R,4R,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(4-hydroxy-2-oxo-2H-pyrimidin-1-yl)-4-(tetrahydro-furan-2-yloxy)-tetrahydro-furan-3-yl] ester

: Succinic acid (2R,3R,4R,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(4-hydroxy-2-oxo-2H-pyrimidin-1-yl)-4-(tetrahydro-furan-2-yloxy)-tetrahydro-furan-3-yl ester pentachlorophenyl ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 16h; Ambient temperature;	100%

: 680981-19-5
2-methoxy-succinic acid 1-(6-tert-butoxycarbonylamino-hexyl) ester

: 87-86-5
Pentachlorophenol

: 680981-21-9
pentachlorophenyl N-tert-butoxycarbonyl-3-methoxy-4-oxo-5-oxy-11-aminoundecanoate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In ethyl acetate at 20℃; for 120h;	100%

: 865623-19-4
(E)-[2-(phenylazo)phenyl]diphenylphosphine

: 87-86-5
Pentachlorophenol

: 1374254-19-9
C6Cl5O(1-)*C24H20N2P(1+)

Conditions

Conditions	Yield
In tetrahydrofuran at -60℃;	100%

: 87-86-5
Pentachlorophenol

: 70-11-1
α-bromoacetophenone

: 2-pentachlorophenyloxy-1-phenyl-ethanone

Conditions

Conditions	Yield
Stage #1: Pentachlorophenol With potassium carbonate In butanone at 20℃; for 0.25h; Stage #2: α-bromoacetophenone In butanone at 80℃;	100%

: 87-86-5
Pentachlorophenol

: 108-24-7
acetic anhydride

: 1441-02-7
pentachlorophenyl acetate

Conditions

Conditions	Yield
With silver trifluoromethanesulfonate at 60℃; for 0.0833333h; neat (no solvent);	99%
With dicyclohexyl-carbodiimide In acetonitrile at 25℃; for 1h;	91%
With sodium acetate

: 87-86-5
Pentachlorophenol

: 39206-48-9
pentachlorobenzenesulfonic anhydride

A: 608-93-5
pentachlorobenzene

B: 40707-29-7
pentachlorobenzenesulfonic acid

C: pentachlorophenyl pentachlorobenzenesulfonate

Conditions

Conditions	Yield
at 200 - 210℃; for 0.5h;	A 32% B 99% C 39%

...Expand

: 87-86-5
Pentachlorophenol

: 120188-25-2
Succinic acid mono-[3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethoxy)-propyl] ester

: 120188-26-3
1-<<2-dimethoxytrityl-hydroxy-1-(pentachlorophenylsuccinyl-hydroxy-methyl)ethoxy>-methyl>thymine

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide	99%

: 87-86-5
Pentachlorophenol

: 66003-76-7
Diphenyliodonium triflate

: 22274-42-6
2,3,4,5,6-Pentachlorobiphenyl ether

Conditions

Conditions	Yield
Stage #1: Pentachlorophenol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Stage #2: Diphenyliodonium triflate In tetrahydrofuran at 40℃; for 2h;	99%
Stage #1: Pentachlorophenol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Stage #2: Diphenyliodonium triflate In tetrahydrofuran at 40℃; for 2h;	99%

: 87-86-5
Pentachlorophenol

: 33756-42-2
tri-p-fluorophenylstibine

: bis(2,3,4,5,6-pentachlorophenoxy)tris(4-fluorophenyl)antimony

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In diethyl ether; water at 20℃; for 24h;	99%

: 87-86-5
Pentachlorophenol

: 98015-53-3
1,2,2,2-tetrachloroethyl chloroformate

: 107960-04-3
pentachlorophenyl 1,2,2,2-tetrachloroethyl carbonate

Conditions

Conditions	Yield
With pyridine In dichloromethane for 3h; Ambient temperature;	98%

: 87-86-5
Pentachlorophenol

: 102386-34-5
Succinic acid mono-[(2R,3R,4R,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(6-hydroxy-2-isobutyrylamino-purin-9-yl)-4-(tetrahydro-furan-2-yloxy)-tetrahydro-furan-3-yl] ester

: Succinic acid (2R,3R,4R,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(6-hydroxy-2-isobutyrylamino-purin-9-yl)-4-(tetrahydro-furan-2-yloxy)-tetrahydro-furan-3-yl ester pentachlorophenyl ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 16h; Ambient temperature;	98%

: 87-86-5
Pentachlorophenol

A: 108-93-0
cyclohexanol

B: 108-95-2
phenol

Conditions

Conditions	Yield
With nickel dichloride; RedAl In tetrahydrofuran at 68℃; for 2h; Product distribution; other dehalogenating systems, other reaction times and temperatures;	A n/a B 98%

: 87-86-5
Pentachlorophenol

: 309965-65-9
Ru(CH2C(CH3)CH2)2(((CH3)2CH)2PCH2P(C6H5)2)

: 309965-71-7
Ru(OC6Cl5)2(((CH3)2CH)2PCH2P(C6H5)2)

Conditions

Conditions	Yield
In toluene (Ar); stirring a soln. of ruthenium complex and pentachlorophenol in toluene for 30 min at room temp.; evapn., washing with EtOH and pentane, drying; elem. anal.;	98%

: 75-91-2
tert.-butylhydroperoxide

: 87-86-5
Pentachlorophenol

: 5395-43-7
tri(p-tolyl)antimony

: μ2-oxobis[(2,3,4,5,6-pentachlorophenoxo)tris(para-tolyl)antimony]

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 24h;	98%

...Expand

: 2158-02-3
morpholine-4-carboxylic acid amide

: 87-86-5
Pentachlorophenol

: 87448-70-2
2,3,4,5,6-Pentachloro-phenol; compound with morpholine-4-carboxylic acid amide

Conditions

Conditions	Yield
	96%

: 87-86-5
Pentachlorophenol

: 16420-13-6
N,N-Dimethylthiocarbamoyl chloride

: 19387-18-9
O-pentachlorophenyl dimethylthiocarbamate

Conditions

Conditions	Yield
With potassium hydroxide In 1,4-dioxane 1.) 30 deg C, 1 h; 2.) 85 deg C, 3 h;	96%

: 87-86-5
Pentachlorophenol

: 115-77-5
Pentaerythritol

: 65284-06-2
3,9-bis(2',3',4',5',6'-pentachlorophenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane-3,9-dioxide

Conditions

Conditions	Yield
With potassium chloride; trichlorophosphate In toluene	95.3%

: 87-86-5
Pentachlorophenol

: 118-75-2
chloranil

Conditions

Conditions	Yield
With bis-[(trifluoroacetoxy)iodo]benzene In various solvent(s) at 20℃; for 1h; pH=1.4; Oxidation;	95%
With nitric acid
With hydrogenchloride; chlorine

: 87-86-5
Pentachlorophenol

: 309965-66-0
Ru(CH2C(CH3)CH2)2((C6H11)2PCH2P(C6H5)2)

: 309965-72-8
Ru(OC6Cl5)2((C6H11)2PCH2P(C6H5)2)

Conditions

Conditions	Yield
In toluene (Ar); stirring a soln. of ruthenium complex and pentachlorophenol in toluene for 30 min at room temp.; evapn., washing with EtOH and pentane, drying; elem. anal.;	95%

: 87-86-5
Pentachlorophenol

: 603-36-1
triphenylantimony

: 17363-17-6
di(pentachlorophenolato)triphenylantimony(V)

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In diethyl ether at 20℃; for 24h;	95%

: 87-86-5
Pentachlorophenol

: 2170-05-0
pentaphenylantimony

: 2,3,4,5,6-pentachlorophenoxytetraphenylantimony

Conditions

Conditions	Yield
In toluene at 24℃; for 0.25h;	95%

: tris(3-fluorophenyl)antimony

: 87-86-5
Pentachlorophenol

: tris(3-fluorophenyl)antimony-bis(pentachlorophenoxide)

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In diethyl ether; water at 20℃; for 24h;	95%

: 87-86-5
Pentachlorophenol

: 5395-43-7
tri(p-tolyl)antimony

: bis(pentachlorophenoxy)tri-para-tolylantimony

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In diethyl ether at 20℃; for 24h;	94%

: 87-86-5
Pentachlorophenol

: 65-85-0
benzoic acid

: 3019-98-5
pentachlorophenyl benzoate

Conditions

Conditions	Yield
With 3-(5-nitro-2-oxo-1,2-dihydro-1-pyridyl)-1,2-benzisothiazole 1,1,-dioxide; triethylamine In dichloromethane -10 deg C -> r.t., overnight;	93%
With TEA; 3-(5-nitro-2-oxo-1,2-dihydro-1-pyridyl)-1,2-benzisothiazole 1,1,-dioxide In dichloromethane -10 deg C to room temperature;	93%
With acetic anhydride

: 87-86-5
Pentachlorophenol

: Succinic acid mono-[(3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-methoxy-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl] ester

: 89239-05-4
Succinic acid (3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-methoxy-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester pentachlorophenyl ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide	93%

: 87-86-5
Pentachlorophenol

: 13328-67-1, 51017-91-5
penta(p-tolyl)antimony(V)

: 2,3,4,5,6-pentachlorophenoxytetra-p-tolylantimony

Conditions

Conditions	Yield
In toluene at 24℃; for 0.25h;	93%

: 87-86-5
Pentachlorophenol

: ((2,6-diisopropylphenyl)imino)tris((trimethylsilyl)methyl)vanadium

: C26H39Cl5NOSi2V

Conditions

Conditions	Yield
In hexane at -30 - 20℃; for 14.5h; Sealed tube;	93%

: 87-86-5
Pentachlorophenol

: 112-38-9
10-undecenoic acid

: pentachlorophenyl ω-undecenoate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In acetonitrile at 25℃; for 1h;	92%

: 87-86-5
Pentachlorophenol

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 2613-89-0
phenylmalonic acid

: 59530-33-5
dipentachlorophenyl phenylmalonate

Conditions

Conditions	Yield
With pyridine In methanol; dichloromethane	92%

...Expand

: 87-86-5
Pentachlorophenol

: 262359-92-2
[Ru(η3-2-MeC3H4)2(κ2-Ph2PCH2CH2PiPr2)]

: [Ru(κ2-O,Cl-pentachlorophenolate)2(κ2-Ph2PCH2CH2PiPr2)]

Conditions

Conditions	Yield
In toluene (Ar); -30°C; warmed to room temp.; stirred (10 min); solvent evapd. (vac.); washed (pentane); dried; elem. anal.;	92%

Pentachlorophenol Consensus Reports

IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 53 ,1991,p. 371.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 ,1986,p. 319.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 53 ,1991,p. 371.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IARC Cancer Review: Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 20 ,1979,p. 303.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 53 ,1991,p. 371.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Chlorophenol compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Pentachlorophenol Standards and Recommendations

OSHA PEL: TWA 0.5 mg/m³ (skin)
ACGIH TLV: TWA 0.5 mg/m³ (skin); BEI: 2 mg/g creatinine in urine prior to last shift of workweek; Animal Carcinogen
DFG MAK: Confirmed Animal Carcinogen, Suspected Human Carcinogen; BAT: 1000 μg/L in plasma/serum

Pentachlorophenol Analytical Methods

For occupational chemical analysis use OSHA: #39 or NIOSH: Pentachlorophenol, 5512.

Pentachlorophenol Specification

The Pentachlorophenol, with the CAS registry number 87-86-5 and EINECS registry number 201-778-6, is also called PCP. It is a kind of odourless white or light brown powder or crystals, and incompatible with strong bases, acid chlorides and acid anhydrides. The molecular formula of this chemical is C₆Cl₅OH.

The Pentachlorophenol is an kind of organochlorine compound which is often used as a pesticide and a disinfectant. It can be found in two forms: PCP itself or as the sodium salt of PCP, which dissolves easily in water.

The physical properties of Pentachlorophenol are as followings: (1)ACD/LogP: 4.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 331.45; (6)ACD/BCF (pH 7.4): 6.55; (7)ACD/KOC (pH 5.5): 1246.46; (8)ACD/KOC (pH 7.4): 24.62; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 52.6 cm³; (15)Molar Volume: 147.6 cm³; (16)Polarizability: 20.85×10^-24cm³; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.804 g/cm³; (19)Flash Point: 133.7 °C; (20)Enthalpy of Vaporization: 57.22 kJ/mol; (21)Boiling Point: 309.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000349 mmHg at 25°C.

Preparation: It can be produced by the chlorination of phenol in the presence of catalyst and a temperature of up to approximately 191 °C. This process does not result in complete chlorination. And the other product are even more toxic than the pentachlorophenol itself.

Uses of Pentachlorophenol: It has been used as a herbicide, insecticide, fungicide, algaecide, disinfectant and as an ingredient in antifouling paint in the past. And because of its high toxicity, its use has been significantly declined.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which is very toxic, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing and gloves, and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); Not recommended for interior use on large surface areas; This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet; Keep away from sources of ignition - No smoking; Keep container tightly closed.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
(2)InChI: InChI=1/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
(3)InChIKey: IZUPBVBPLAPZRR-UHFFFAOYAG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	unreported	70mg/kg (70mg/kg)		Phytiatrie-Phytopharmacie. Vol. 1, Pg. 3, 1953.
dog	LDLo	subcutaneous	135mg/kg (135mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 123, 1959.
duck	LD50	oral	380mg/kg (380mg/kg)		Down to Earth. Vol. 35, Pg. 25, 1979.
frog	LD50	unreported	36mg/kg (36mg/kg)		Phytiatrie-Phytopharmacie. Vol. 1, Pg. 3, 1953.
gerbil	LD50	oral	294mg/kg (294mg/kg)		Archives of Toxicology. Vol. 40, Pg. 63, 1978.
guinea pig	LD50	unreported	100mg/kg (100mg/kg)		Phytiatrie-Phytopharmacie. Vol. 1, Pg. 3, 1953.
hamster	LD50	oral	168mg/kg (168mg/kg)		Toxicology and Applied Pharmacology. Vol. 48, Pg. A192, 1979.
man	LDLo	oral	401mg/kg (401mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) SKIN AND APPENDAGES (SKIN): SWEATING: OTHER	Ecotoxicology and Environmental Safety. Vol. 1, Pg. 343, 1977.
mouse	LC50	inhalation	225mg/m³ (225mg/m³)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(9), Pg. 58, 1969.
mouse	LD50	intraperitoneal	32mg/kg (32mg/kg)		Archives of Toxicology. Vol. 40, Pg. 63, 1978.
mouse	LD50	oral	36mg/kg (36mg/kg)		Archives of Toxicology. Vol. 40, Pg. 63, 1978.
rabbit	LDLo	intraperitoneal	135mg/kg (135mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 123, 1959.
rabbit	LDLo	oral	70mg/kg (70mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION	Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 104, 1942.
rabbit	LDLo	skin	40mg/kg (40mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION	Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 104, 1942.
rabbit	LDLo	subcutaneous	70mg/kg (70mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION	Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 104, 1942.
rat	LC50	inhalation	355mg/m³(355mg/m³)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(9), Pg. 58, 1969.
rat	LD50	intraperitoneal	56mg/kg (56mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 20, 1958.
rat	LD50	oral	27mg/kg (27mg/kg)	VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION ENDOCRINE: HYPERGLYCEMIA	Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 104, 1942.
rat	LD50	skin	96mg/kg (96mg/kg)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(9), Pg. 58, 1969.

Product Name

Pentachlorophenol

Synthetic route

Pentachlorophenol Consensus Reports

Pentachlorophenol Standards and Recommendations

Pentachlorophenol Analytical Methods

Pentachlorophenol Specification

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