4-Chloro-3-methylphenol supplier

Name
4-Chloro-3-methylphenol
EINECS 200-431-6
CAS No. 59-50-7
Article Data54
CAS DataBase
Density 1.228 g/cm³
Solubility 4 g/L (20 ºC)
Melting Point 63-65 °C
Formula C₇H₇ClO
Boiling Point 235 °C at 760 mmHg
Molecular Weight 142.585
Flash Point 93.4 °C
Transport Information UN 3077 9/PG 3
Appearance white or pink crystals
Safety 26-36/37/39-61-45-36/37-16-7-28
Risk Codes 21/22-41-43-50-39/23/24/25-23/24/25-11-38
Molecular Structure
Hazard Symbols Xn; N; T; F
Synonyms m-Cresol,4-chloro- (8CI);1-Chloro-2-methyl-4-hydroxybenzene;2-Chloro-5-hydroxytoluene;3-Methyl-4-chlorophenol;4-Chloro-3-cresol;4-Chloro-5-methylphenol;4-Chloro-m-cresol;6-Chloro-3-hydroxytoluene;Aptal;Baktol;Baktolan;Candaseptic;NSC 4166;Neopredisan;Ottafact;PCMC;Parmetol;Parol;Peritonan;Preventol CMK;Raschit;Raschit K;Rasen-Anicon;p-Chloro-m-cresol;para-Chloro-meta-cresol;
PSA 20.23000
LogP 2.35400

Synthetic route

: 108-39-4
3-methyl-phenol

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With N-chloro-N-(benzenesulfonyl)benzenesulfonamide In acetonitrile at 20 - 25℃; for 0.166667h; Green chemistry;	98.3%
With oxygen; lithium chloride; copper dichloride In acetic acid at 80℃; under 760.051 Torr; for 6h;	81%
With oxone; potassium chloride In acetonitrile at 20℃; for 15h;	73%

: 137-07-5
2-amino-benzenethiol

: 2,2-dimethyl-propionic acid 4-chloro-3-methyl-phenyl ester

A: 59-50-7
4-Chloro-3-methylphenol

B: 17626-88-9
2-(tert-butyl)benzo[d]thiazole

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; potassium carbonate at 100℃; for 2h; Hydrolysis; cyclization;	A 98% B n/a

...Expand

: 599-85-9
toluene-4-sulfonic acid-(4-chloro-3-methyl-phenyl ester)

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; potassium carbonate; thiophenol for 1h; Hydrolysis; Heating;	95%

: 84196-13-4
4-chloro-3-methylphenyl benzoate

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 100℃; for 3h;	90%
With potassium fluoride; thiophenol In 1-methyl-pyrrolidin-2-one at 100℃; for 1h;	80%

: 13334-71-9
1-chloro-4-methoxy-2-methylbenzene

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With 1-N-ferrocenylmethyl benzimidazole tagged polymer In N,N-dimethyl-formamide Reflux;	80%

: 2,2-dimethyl-propionic acid 4-chloro-3-methyl-phenyl ester

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; potassium carbonate; thiophenol for 0.5h; Hydrolysis; Heating;	70%

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

C: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With NHCl2 In water pH=6.0; Product distribution; Further Variations:; Reagents; pH-values;	A 50% B 22% C 28%
With sodium hydroxide; sodium hypochlorite; sodium nitrate at 4.85℃; Kinetics; Further Variations:; Temperatures;
With sodium hydroxide; tert-butylhypochlorite; sodium chloride at -35.15℃; Kinetics; Further Variations:; pH-values; conc.;

...Expand

: C7H7O3S(1-)*C10H15ClOP(1+)

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 60℃; for 1h; Inert atmosphere;	46%

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

C: 13481-70-4
3-methyl-2,6-dichlorophenol

D: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With chloroamine In water pH=9.0; Product distribution; Further Variations:; Reagents; pH-values;	A 23% B 19.3% C 10.1% D 32.1%

...Expand

: 95-49-8
2-methylchlorobenzene

A: 59-50-7
4-Chloro-3-methylphenol

B: 17849-38-6
2-Chlorobenzyl alcohol

C: 3260-87-5
3-chloro-o-cresol

D: 615-62-3
3-chloro-4-methylphenol

E: 608-26-4
2-chloro-m-cresol

F: 87-64-9
2-chloro-6-methylphenol

Conditions

Conditions	Yield
With wild type cytochrome P450 CYP102A1 variants RLYF/A330P; oxygen; NADPH Enzymatic reaction;	A 22% B 15% C 22% D n/a E 10% F 28%
With wild type cytochrome P450 CYP102A1(P450Bm3); oxygen; NADPH Enzymatic reaction;	A 24% B 25% C 28% D n/a E 7% F 13%

...Expand

: 127275-12-1
4-Chloro-3-methylphenyl Hydrogen Succinate

A: 59-50-7
4-Chloro-3-methylphenol

B: 59010-46-7
4-(2-Hydroxy-4-methylphenyl)-4-oxobutanoic Acid

C: 62903-21-3
4-(5-Chloro-2-hydroxy-4-methylphenyl)-4-oxobutanoic Acid

Conditions

Conditions	Yield
In ethanol for 20h; Ambient temperature; Irradiation;	A n/a B 4% C 7%
In ethanol for 20h; Product distribution; Ambient temperature; Irradiation; further time, temperature and reagent;	A n/a B 4% C 7%

...Expand

: 19398-61-9
2,5-dichlorotoluene

: 124-41-4
sodium methylate

A: 59-50-7
4-Chloro-3-methylphenol

B: 1570-64-5
2-methyl-4-chlorophenol

Conditions

Conditions	Yield
With methanol at 180℃;

...Expand

: 67-56-1
methanol

: 108-39-4
3-methyl-phenol

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With chlorine Behandeln unter Kuehlung;

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

Conditions

Conditions	Yield
With sulfuryl dichloride Fraktionieren des Reaktionsgemischs;
With sulfuryl dichloride Fraktionieren des Reaktionsgemisches und Ausfrieren der bei ca. 190grad siedenden Vorlaeufe;

: 7149-75-9
3-methyl-4-chloroaniline

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With hydrogenchloride Diazotization.Erhitzen der Diazoniumsalz-Loesung auf dem Dampfbad;

: 67-56-1
methanol

: 127275-12-1
4-Chloro-3-methylphenyl Hydrogen Succinate

A: 59-50-7
4-Chloro-3-methylphenol

B: 59010-47-8
Methyl 4-(2-Hydroxy-4-methylphenyl)-4-oxobutanoate

C: 127275-14-3
Methyl 4-(5-Chloro-2-hydroxy-4-methylphenyl)-4-oxobutanoate

Conditions

Conditions	Yield
With sulfuric acid 1.) ethanol, irradiation, 20 h, RT; 2.) 4 h, reflux; Multistep reaction;
With sulfuric acid 1.) 20 h, ethanol, irradiation, RT; 2.) 4 h, reflux; Multistep reaction;

...Expand

: 95-49-8
2-methylchlorobenzene

A: 59-50-7
4-Chloro-3-methylphenol

B: 17849-38-6
2-Chlorobenzyl alcohol

C: 3260-87-5
3-chloro-o-cresol

D: 615-62-3
3-chloro-4-methylphenol

E: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With dinitrogen monoxide In water Rate constant; Product distribution; Mechanism; Ambient temperature; Irradiation; reaction with OH or SO4(2-) radicals;

...Expand

: 70-29-1
diethyl sulphide

: 108-39-4
3-methyl-phenol

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
1.) CH3OH, HCl; Yield given. Multistep reaction;

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

C: 3-methyl-4-(phenylselenyl)phenol

D: 5-methyl-2-(phenylselenyl)phenol

Conditions

Conditions	Yield
With Phenylselenyl chloride In dichloromethane Ambient temperature; Further byproducts given;	A 40 % Chromat. B 5 % Chromat. C n/a D n/a

...Expand

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 1124-07-8
2,4-dichloro-5-methylphenol

Conditions

Conditions	Yield
With N-chloropiperidine In trifluoroacetic acid Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With N-chloropiperidine In trifluoroacetic acid Ambient temperature; Yield given;

: 90963-36-3
1-(3-methyl-4-chlorophenoxy)silatrane

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water at 24.9℃; Rate constant; Thermodynamic data; ΔH(excit.);

: 7791-25-5
sulfuryl dichloride

: 108-39-4
3-methyl-phenol

: 59-50-7
4-Chloro-3-methylphenol

: 7782-50-5
chlorine

: 64-19-7
acetic acid

: 108-39-4
3-methyl-phenol

: 59-50-7
4-Chloro-3-methylphenol

...Expand

: 7791-25-5
sulfuryl dichloride

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

Conditions

Conditions	Yield
beim Chlorieren;

...Expand

: 67-56-1
methanol

: 7782-50-5
chlorine

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

Conditions

Conditions	Yield
unter Kuehlung;

...Expand

: 108-39-4
3-methyl-phenol

natrium carbonate: natrium carbonate

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

Conditions

Conditions	Yield
beim Chlorieren;

...Expand

: 56-23-5
tetrachloromethane

: 7782-50-5
chlorine

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

C: 608-26-4
2-chloro-m-cresol

...Expand

chlorination product of m-cresol: chlorination product of m-cresol

: 59-50-7
4-Chloro-3-methylphenol

Conditions

Conditions	Yield
With sulfuric acid at 100℃; Erhitzen des Reaktionsprodukts mit H2SO4 auf 140grad;

crude cresol: crude cresol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

Conditions

Conditions	Yield
With chlorine
With sulfuryl dichloride
With sulfuryl dichloride

: 59-50-7
4-Chloro-3-methylphenol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 181648-42-0
tert-butyl-(4-chloro-3-methyl-phenoxy)-dimethyl-silane

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide	100%

: 59-50-7
4-Chloro-3-methylphenol

: 124-63-0
methanesulfonyl chloride

: 90555-52-5
4'-chloro-3'-methylphenyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 0.5h;	100%
With triethylamine In dichloromethane at 0℃;
With triethylamine In dichloromethane
With pyridine In water; acetone

: 59-50-7
4-Chloro-3-methylphenol

: 58479-61-1
tert-butylchlorodiphenylsilane

: 350604-58-9
tetr-butyl(4-chloro-3-methylphenoxy)diphenylsilane

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 70℃; for 18h;	100%

: 59-50-7
4-Chloro-3-methylphenol

: 75-65-0
tert-butyl alcohol

: 30894-16-7
4-chloro-3-methyl-6-tert-butyl-phenol

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane; water at 0 - 20℃;	100%
With sulfuric acid; acetic acid In water at 20 - 50℃; for 96h;
With sulfuric acid; acetic acid In water at 20 - 50℃; for 96h;
sulfuric acid In water; acetic acid at 50℃; for 96h;
With sulfuric acid In acetic acid at 20 - 50℃; for 96h;

: 59-50-7
4-Chloro-3-methylphenol

: 858124-04-6
ethyl 3-(chloromethyl)-4-methoxybenzoate

: 1360060-14-5
ethyl 3-[(4-chloro-3-methylphenoxymethyl)]-4-methoxybenzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 13h;	100%

: 59-50-7
4-Chloro-3-methylphenol

: C18H25NO6S

: C25H30ClNO6S

Conditions

Conditions	Yield
With tributylphosphine; diamide In tetrahydrofuran at 20℃; Mitsunobu Displacement;	100%

: 59-50-7
4-Chloro-3-methylphenol

: 108-24-7
acetic anhydride

: 54963-43-8
4-chloro-3-methylphenyl acetate

Conditions

Conditions	Yield
With Zn(N4,N4'-di(pyridin-4-yl)biphenyl-4,4'-dicarboxamide)(5-aminoisophthalate) In dichloromethane at 20℃; for 12h;	99%
With magnesium(II) perchlorate at 20℃; for 0.25h;	95%
With N,N'-dimethyl-N,N'-di(pyridin-4-yl)ferrocene-1,1'-dicarboxamide at 20℃; for 0.583333h;	90%

: 59-50-7
4-Chloro-3-methylphenol

: 107-08-4
1-iodo-propane

: 1509948-97-3
1-chloro-2-methyl-4-propoxybenzene

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 1.5h;	99%

: 59-50-7
4-Chloro-3-methylphenol

: 122-04-3
4-nitro-benzoyl chloride

: 78079-59-1
4-nitrobenzoic acid 4-chloro-3-methylphenyl ester

Conditions

Conditions	Yield
With pyridine Reflux;	98%

: 59-50-7
4-Chloro-3-methylphenol

: 98-09-9
benzenesulfonyl chloride

: benzenesulfonic acid-(4-chloro-3-methyl-phenyl ester)

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 18.3h; Stirring;	96%
With pyridine

: 59-50-7
4-Chloro-3-methylphenol

: 106-95-6
allyl bromide

: 114544-72-8
1-chloro-2-methyl-4-(2-propenyloxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone Heating;	96%

: 59-50-7
4-Chloro-3-methylphenol

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 17903-48-9
trimethyl(4-chloro-3-methylphenoxy)silane

Conditions

Conditions	Yield
With silica-S-sulfonic acid In acetonitrile at 20℃; for 0.05h;	96%
With silica supported Sn(Cl)4-n In acetonitrile at 20℃; for 0.05h;	90%

: 59-50-7
4-Chloro-3-methylphenol

: 935-02-4
2-cyano-1-phenylacetylene

: 1395087-42-9
(Z)-3-(4-chloro-3-methylphenoxy)-3-phenylacrylonitrile

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 20 - 25℃; for 12h; optical yield given as %de;	96%

: 59-50-7
4-Chloro-3-methylphenol

: 287929-21-9
2,6-dibromo-4-chloro-5-methylphenol

Conditions

Conditions	Yield
With dibromamine-T In acetonitrile at 20℃; for 0.166667h;	95%
With N-Bromosuccinimide at 5℃; for 0.00166667h; Solid phase reaction; bromination;	50%
With bromine; acetic acid

: 59-50-7
4-Chloro-3-methylphenol

: 91785-88-5
phosphoric acid tris-(4-chloro-3-methyl-phenyl ester)

Conditions

Conditions	Yield
With sodium hydroxide; trichlorophosphate for 2h; Esterification; Microwave irradiation;	95%
With magnesium chloride; trichlorophosphate
With phosphorus pentachloride; trichlorophosphate 2.) 100-150 deg C, 3 h; 180-200 deg C, 2 h; 250-260 deg C, 3 h; Yield given. Multistep reaction;

: 59-50-7
4-Chloro-3-methylphenol

: 22784-33-4
2-iodo-closo-1,12-dodecaborane

: 1182371-57-8
2-(3-methyl-4-chlorophenoxy)-1,12-dicarba-closo-dodecaborane

Conditions

Conditions	Yield
With Pd(dibenzylideneacetone)2; rac-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl; NaH In 1,4-dioxane (Ar); addn. of 3-methyl-4-chlorophenol to suspn. of NaH (60% dispersion in mineral oil) in dioxane, stirring at 90°C for 0.5 h, addn. of 2-iodo-p-carborane, Pd(dba)2 and BINAP, stirring at 90°C for <48 h; monitoring by TLC using petroleum ether as eluent, diluting with CH2Cl2,filtration, removal of solvent under vac., flash chromy. on silica gel using petroleum ether or CHCl3 as eluent; as oil; elem. anal.;	95%

Yield

With Pd(dibenzylideneacetone)2; rac-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl; NaH In 1,4-dioxane (Ar); addn. of 3-methyl-4-chlorophenol to suspn. of NaH (60% dispersion in mineral oil) in dioxane, stirring at 90°C for 0.5 h, addn. of 2-iodo-p-carborane, Pd(dba)2 and BINAP, stirring at 90°C for <48 h; monitoring by TLC using petroleum ether as eluent, diluting with CH2Cl2,filtration, removal of solvent under vac., flash chromy. on silica gel using petroleum ether or CHCl3 as eluent; as oil; elem. anal.;

95%

: 59-50-7
4-Chloro-3-methylphenol

: 72324-39-1
5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione

: 196605-34-2
6-chloro-4,7-dimethyl-2H-chromen-2-one

Conditions

Conditions	Yield
Stage #1: 5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione With alcohol Microwave irradiation; Stage #2: 4-Chloro-3-methylphenol Microwave irradiation;	95%

: 59-50-7
4-Chloro-3-methylphenol

: 802294-64-0
propionic acid

: 22362-65-8
1-(5-chloro-2-hydroxy-4-methyl-phenyl)-propan-1-one

Conditions

Conditions	Yield
With titanium tetrachloride In neat (no solvent) at 100℃; for 6h; Inert atmosphere;	94%
With boron trifluoride at 100℃; unter Druck;

: 59-50-7
4-Chloro-3-methylphenol

: 274924-71-9
4-(1H-1,2,3-benzotriazol-1-yl)-5-nitrophthalonitrile

: 4-benzotriazol-1-yl-5-(4-chloro-3-methyl-phenoxy)-phthalonitrile

Conditions

Conditions	Yield
With potassium carbonate In water; N,N-dimethyl-formamide at 20℃;	94%

: 59-50-7
4-Chloro-3-methylphenol

: 90358-01-3
2,3,4,6-tetra-O-benzyl-α-D-galactopyranosyl trichloroacetimidate

: 4'-chloro-3'-methylphenyl 2,3,4,6-tetra-O-benzyl-β-D-galactopyranoside

Conditions

Conditions	Yield
With iron(III) chloride In dichloromethane at -5 - 20℃; for 0.666667h; Inert atmosphere; Molecular sieve;	94%

: 59-50-7
4-Chloro-3-methylphenol

: 40677-43-8
5-chloro-2-hydroxy-4-methylbenzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid at 50℃; for 3h; Concentration; Temperature;	93.4%
With sulfuric acid at 70 - 110℃;

: 59-50-7
4-Chloro-3-methylphenol

: 64407-07-4
3-(chloromethyl)benzonitrile

: 1036455-93-2
3-[(4-chloro-3-methylphenoxy)methyl]benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 3h;	93%

: 59-50-7
4-Chloro-3-methylphenol

: 616-38-6
carbonic acid dimethyl ester

: 13334-71-9
1-chloro-4-methoxy-2-methylbenzene

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 220℃; for 0.166667h; Inert atmosphere;	93%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In sulfolane at 220℃; for 0.166667h;	93%
With N-butyl-4-methylpyridinium bromide at 170℃; for 2.5h; Inert atmosphere; Ionic liquid; Green chemistry; chemoselective reaction;	78%

: 59-50-7
4-Chloro-3-methylphenol

: 57057-80-4
ethyl (S)-2-[[(4-methylphenyl)sulfonyl]oxy]propanoate

: C12H15ClO3

Conditions

Conditions	Yield
With potassium carbonate at 96℃; for 0.25h; Microwave irradiation; optical yield given as %ee;	92.1%

: 88-14-2
2-furanoic acid

: 59-50-7
4-Chloro-3-methylphenol

: 97035-50-2
Furan-2-carboxylic acid 4-chloro-3-methyl-phenyl ester

Conditions

Conditions	Yield
With pyridine; trichlorophosphate	92%

: 59-50-7
4-Chloro-3-methylphenol

: 67-66-3
chloroform

: 67-64-1
acetone

: 62443-89-4
α-(3-methyl-4-chlorophenoxy)isobutyric acid

Conditions

Conditions	Yield
With sodium hydroxide Heating;	92%

...Expand

: 59-50-7
4-Chloro-3-methylphenol

: 3137-63-1
4-chloro-2-(trichloromethyl)quinazoline

: 4-(4-chloro-3-methylphenoxy)-2-(trichloromethyl)quinazoline

Conditions

Conditions	Yield
With dmap In toluene at 130℃; for 1h; Microwave irradiation; Sealed tube;	92%

4-Chloro-3-methylphenol Consensus Reports

Reported in EPA TSCA Inventory. Chlorophenol compounds are on the Community Right-To-Know List.

4-Chloro-3-methylphenol Specification

The IUPAC name of this chemical is 4-Chloro-3-methylphenol. With the CAS registry number 59-50-7 and EINECS 200-431-6, it is also named as Phenol,4-chloro-3-methyl-. In addition, the molecula formula is C₇H₇ClO and the molecular weight is 142.58. It belongs to the classes of Industrial/Fine Chemicals; Fluorobenzene; Biocides; Aromatic Phenols; Organics; Phenoles and thiophenoles; Highly Purified Reagents; Other Categories; Zone Refined Products. It is a kind of white or pink crystals.

Physical properties about this chemical are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.88; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 20.23 Å²; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 37.85 cm³; (11)Molar Volume: 116 cm³; (12)Polarizability: 15 ×10^-24cm³; (13)Surface Tension: 42.1 dyne/cm; (14)Density: 1.228 g/cm³; (15)Flash Point: 93.4 °C; (16)Enthalpy of Vaporization: 49.09 kJ/mol; (17)Boiling Point: 235 °C at 760 mmHg; (18)Vapour Pressure: 0.0335 mmHg at 25°C.

Preparation of 4-Chloro-3-methylphenol: it can be prepared by m-cresol and dichlorosulfuryl. You can add the m-cresol into the dichlorosulfuryl slowly with stirring. The reaction temperature should be controlled at 30-50 °C. And the reaction time is 16 hours. After the reaction, you should wash the product with water, then wash it with sodium carbonate solution until alkaline and wash with hot water to neutral at last. After separating the oil, you should dry the product with anhydrous calcium chloride. Then vacuum distillation the product after filtering the desiccant.

Uses of 4-Chloro-3-methylphenol: it can be used as preservative of baby cosmetics and protein shampoo. It also can be used in organic synthesis, such as dyes and film preservatives. And it can be used to get 2,6-dibromo-4-chloro-3-methyl-phenol. This reaction will need reagent NBS. The reaction time is 0.1 minute at reaction temperature of 5 °C. The yield is about 50%. It is a kind of solid phase reaction.

4-Chloro-3-methylphenol can be used to get 2,6-dibromo-4-chloro-3-methyl-phenol.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful in contact with skin and if swallowed. And it is toxic by inhalation, in contact with skin and if swallowed and very toxic to aquatic organisms and. It has very serious irreversible effects and risk of serious damage to the eyes. In addition, it may cause sensitization by skin contact. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should avoid release to the environment and refer to special instructions / safety data sheets. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). You also should keep away from sources of ignition and keep container tightly closed. After contact with skin, you should wash immediately with plenty of soap-suds.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(Cl)c(C)c1
(2)InChI: InChI=1/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
(3)InChIKey: CFKMVGJGLGKFKI-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	70mg/kg (70mg/kg)	BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939.
mouse	LD50	oral	600mg/kg (600mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
mouse	LD50	subcutaneous	360mg/kg (360mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939.
rat	LD50	oral	1830mg/kg (1830mg/kg)		Personal Communication from P. Schmitz, Bayer AG, 5090 Leverkusen, Bayerwerk, Fed. Rep. Ger., April 4, 1986Vol. 04APR1986,
rat	LD50	subcutaneous	400mg/kg (400mg/kg)		Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939.

Product Name

4-Chloro-3-methylphenol

Synthetic route

4-Chloro-3-methylphenol Consensus Reports

4-Chloro-3-methylphenol Specification

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