PENTACHLOROETHANE supplier

Name
Pentachloroethane
EINECS 200-925-1
Annex I Index No: 602-017-00-4

CAS No. 76-01-7

Article Data90

CAS DataBase

Density 1.68g/mLat 25°C(lit.)

Solubility negligible
Stability
Stable. Non-flammable.Incompatible with strong oxidizing agents. May react violently with alkaliesor metals.
Toxicology

Toxic by inhalation or ingestion. Harmful by skin contact. Skin,eye and

Melting Point -29 C
Formula C2H Cl5
Boiling Point 162 C
Molecular Weight 202.295
Flash Point 162°C
Transport Information
Appearance colourless liquid with a camphor-like smell
Safety Poison by inhalation and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. An irritant. Questionable carcinogen with experimental carcinogenic data. Flammable when exposed to heat or flame. Moderately explosive by spontaneous chemical reaction. To fight fire, use water, CO₂, dry chemical. Dehalogenation by reaction with alkalies, metals, etc., will produce spontaneously explosive chloroacetylenes. Violent reaction with NaK alloy + bromoform. Mixtures with potassium are very shock-sensitive explosives. When heated to decomposition it emits highly toxic fumes of Cl⁻. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
Analytical Methods:

For occupational chemical analysis use NIOSH: Pentachloroethane, 2517.
Risk Codes R40;R48/23;R51/53;
Molecular Structure
Hazard Symbols Moderate fire and explosion risk. Toxic by inhalation and ingestion.
Synonyms Ethane,pentachloro- (8CI,9CI); 1,1,1,2,2-Pentachloroethane; Pentachloroethane;Pentalin
PSA 0.00000
LogP 3.16030

Synthetic route

: 79-01-6
Trichloroethylene

: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
With chlorine at 10 - 20℃; for 11h; Inert atmosphere; Cooling with ice;	99%
With tetrachloromethane; chlorine monoxide at -20℃;
With chlorine at 0℃; im Sonnenlicht;

: 473-29-0
N,N-Dichlorobenzenesulfonamide

: 79-01-6
Trichloroethylene

A: 76-01-7
pentachloroethane

B: 55596-11-7
N-(2,2,2-trichloroethylidene)benzenesulfonamide

Conditions

Conditions	Yield
at 85 - 90℃; Product distribution; Other temperatures, UV irradiation, presence of azoisobutyronitrile or benzoyl peroxide.;	A n/a B 97%
at 85 - 90℃; Other temperatures, UV irradiation, presence of azoisobutyronitrile or benzoyl peroxide.;	A n/a B 97%

...Expand

: 71-55-6
1,1,1-trichloroethane

A: 630-20-6
1,1,1,2-tetrachoroethane

B: 75-35-4
1,1-Dichloroethylene

C: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
With chlorine at 25℃; Irradiation;	A 92.5% B 2.4% C 5.1%
With chlorine at 25℃; Irradiation;	A 89.9% B 4.7% C 5.3%

...Expand

: 75-34-3
1,1-dichloroethane

A: 71-55-6
1,1,1-trichloroethane

B: 79-00-5
1,1,2-trichloroethane

C: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
With chlorine at 200℃; for 0.05h; Mechanism; Irradiation; other temperature;	A 83.1% B 6.3% C 0.5%
With chlorine at 200℃; for 0.05h; Irradiation;	A 83.1% B 6.3% C 0.5%

...Expand

: 473-29-0
N,N-Dichlorobenzenesulfonamide

: 79-01-6
Trichloroethylene

A: 98-10-2
benzenesulfonamide

B: 76-01-7
pentachloroethane

C: 55596-11-7
N-(2,2,2-trichloroethylidene)benzenesulfonamide

D: 85095-84-7
N-(2,2,2-trichloro-1-benzenesulfonamidoethyl)benzenesulfonamide

Conditions

Conditions	Yield
With tin(IV) chloride at 20 - 22℃; for 1080h; Product distribution; other time, temperature, Lewis acid (AlCl3);	A n/a B n/a C n/a D 81%

...Expand

: 79-34-5
1,1,2,2-tetrachloroethane

A: 127-18-4
1,1,2,2-tetrachloroethylene

B: 79-01-6
Trichloroethylene

C: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
With hydrogenchloride; oxygen at 379.84℃;	A 20.8% B 64.3% C 6.1%

...Expand

: 79-01-6
Trichloroethylene

: 22180-78-5
N,N-dichloro-benzamide

A: 76-01-7
pentachloroethane

B: 6316-07-0
N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

C: 55-21-0
benzamide

D: 97065-69-5
N-(dichloroacetyl)benzamide

Conditions

Conditions	Yield
With air for 11h; Heating;	A n/a B n/a C n/a D 37%

...Expand

: 79-01-6
Trichloroethylene

: 54285-45-9
N,N-dichlorotrifluoromethylsulfonamide

A: 76-01-7
pentachloroethane

B: 1,1,1-trichloro-2,2-bis(trifluoromethanesulfonylamino)ethane

C: 434340-53-1
1,1,1-trifluoro-N-(2,2,2-trichloroethylidene)methanesulfonamide

Conditions

Conditions	Yield
at 20℃; for 25h;	A n/a B n/a C 35%

...Expand

: 18163-67-2
(2,2-dichloro-vinyl)-trimethyl-silane

A: 79-01-6
Trichloroethylene

B: 76-01-7
pentachloroethane

C: Trimethyl-(1,2,2,2-tetrachloro-ethyl)-silane

D: Chloromethyl-dimethyl-(1,2,2,2-tetrachloro-ethyl)-silane

Conditions

Conditions	Yield
With chlorine for 3h; Further byproducts given;	A 5% B 2% C 30% D 33%

...Expand

: 79-01-6
Trichloroethylene

: 22180-78-5
N,N-dichloro-benzamide

A: 76-01-7
pentachloroethane

B: 6316-07-0
N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

C: 81637-90-3
1,1,1-trichloro-2,2-dibenzamidoethane

D: 55-21-0
benzamide

Conditions

Conditions	Yield
at 85 - 90℃; for 10h;	A n/a B n/a C 28% D n/a

...Expand

: 79-01-6
Trichloroethylene

: 21824-73-7
N,N-dichloro-acetamide

A: 60-35-5
acetamide

B: 76-01-7
pentachloroethane

C: 5445-85-2
N-(2,2,2-trichloro-1-hydroxyethyl)-acetamide

D: 57646-87-4
2,2,2-trichloro-1,1-diacetamidoethane

Conditions

Conditions	Yield
at 85 - 90℃; for 10h;	A n/a B n/a C n/a D 17%

...Expand

: 79-01-6
Trichloroethylene

A: 127-18-4
1,1,2,2-tetrachloroethylene

B: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
With chlorine at 379.84℃; Reagent/catalyst; Temperature;	A 8.1% B 11.2%

: 79-01-6
Trichloroethylene

: 17260-65-0
N,N-dichloro-4-chlorobenzenesulfonamide

A: 98-64-6
4-Chlorobenzenesulfonamide

B: 76-01-7
pentachloroethane

C: 81924-15-4
N-(2,2,2-trichloroethylidene)-4-chlorobenzenesulfonamide

D: 107905-40-8
N-(2,2,2-trichloro-1-p-chlorobenzenesulfonamidoethyl)-p-chlorobenzenesulfonamide

Conditions

Conditions	Yield
With tin(IV) chloride at 20 - 22℃; for 720h; Product distribution; other time, temperature, Lewis acid (AlCl3);	A n/a B n/a C n/a D 7.1%

...Expand

: 473-34-7
N,N-dichloro-p-toluenesulfonamide

: 79-01-6
Trichloroethylene

A: 51608-61-8, 13707-44-3
N-(2,2,2-trichloroethyliden)-p-toluenesulfonamide

B: 76-01-7
pentachloroethane

C: 93018-67-8
N-(2,2,2-trichloro-1-p-toluenesulfonamidoethyl)-p-toluenesulfonamide

D: 70-55-3
toluene-4-sulfonamide

Conditions

Conditions	Yield
With tin(IV) chloride at 20 - 22℃; for 1560h; Product distribution; other time, temperature, Lewis acid (AlCl3);	A n/a B n/a C 2.7% D n/a

...Expand

: 56-23-5
tetrachloromethane

: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
Einw. dunkler elektrischer Entladungen;

: 60-29-7
diethyl ether

: 67-72-1
hexachloroethane

: 925-90-6
ethylmagnesium bromide

A: 127-18-4
1,1,2,2-tetrachloroethylene

B: 630-20-6
1,1,1,2-tetrachoroethane

C: 76-01-7
pentachloroethane

D: 79-34-5
1,1,2,2-tetrachloroethane

...Expand

: 60-29-7
diethyl ether

: 67-72-1
hexachloroethane

: phenylmagnesium bromide

A: 127-18-4
1,1,2,2-tetrachloroethylene

B: 630-20-6
1,1,1,2-tetrachoroethane

C: 76-01-7
pentachloroethane

D: 79-34-5
1,1,2,2-tetrachloroethane

...Expand

: 75-00-3
chloroethane

: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
beim Chlorieren;

: 67-66-3
chloroform

: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
Einw. dunkler elektrischer Entladungen;
Brennen eines Lichtbogens (?);
In water at 25℃; Kinetics; sonolysis; sonication;

: 67-66-3
chloroform

A: 56-23-5
tetrachloromethane

B: 127-18-4
1,1,2,2-tetrachloroethylene

C: 76-01-7
pentachloroethane

D: 79-34-5
1,1,2,2-tetrachloroethane

Conditions

Conditions	Yield
beim Durchgang des elektrischen Lichtbogens; weitere Produkten: Hexachloraethan, Hexachlorbenzol, HCl und Kohle;

...Expand

: 71-55-6
1,1,1-trichloroethane

A: 630-20-6
1,1,1,2-tetrachoroethane

B: 76-01-7
pentachloroethane

C: 67-72-1
hexachloroethane

Conditions

Conditions	Yield
Chlorierung im Sonnenlicht;

...Expand

: 505-60-2
bis (2-chloroethyl) sulphide

: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
With chlorine at 1001℃;

: 79-01-6
Trichloroethylene

A: 76-01-7
pentachloroethane

B: 39185-89-2
1,1,2,2-tetrachloro-1-nitroethane

Conditions

Conditions	Yield
With nitrosylchloride

: 2-pentachloropropionyl-benzoic acid

A: 85-44-9
phthalic anhydride

B: 76-01-7
pentachloroethane

: 75-87-6
chloral

A: 2,2,2-trichloro-4-trichloromethyl-2λ5-[1.3.2]dioxaphosphetane

B: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
With phosphorus pentachloride

: 75-87-6
chloral

: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
With phosphorus pentachloride
With aluminium trichloride

: 107-06-2
1,2-dichloro-ethane

: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
beim Chlorieren;

: 60-29-7
diethyl ether

: 67-72-1
hexachloroethane

: 4294-57-9
para-methylphenylmagnesium bromide

A: 127-18-4
1,1,2,2-tetrachloroethylene

B: 630-20-6
1,1,1,2-tetrachoroethane

C: 76-01-7
pentachloroethane

D: 79-34-5
1,1,2,2-tetrachloroethane

...Expand

: 60-29-7
diethyl ether

: 67-72-1
hexachloroethane

: 703-55-9
1-naphthylmagnesiumbromide

A: 127-18-4
1,1,2,2-tetrachloroethylene

B: 630-20-6
1,1,1,2-tetrachoroethane

C: 76-01-7
pentachloroethane

D: 79-34-5
1,1,2,2-tetrachloroethane

...Expand

: 79-34-5
1,1,2,2-tetrachloroethane

: 76-01-7
pentachloroethane

Conditions

Conditions	Yield
With pumice stone at 700℃;
With chlorine Irradiation.UV-Licht;
With hydrogenchloride; oxygen at 349.84℃; Reagent/catalyst; Temperature;

: 76-01-7
pentachloroethane

: 127-18-4
1,1,2,2-tetrachloroethylene

Conditions

Conditions	Yield
With methyl diethylphosphinate at 150℃; for 10h;	75%
With chlorine at 379.84℃; Gas phase; chemoselective reaction;	33.8%
With nickel dichloride at 330℃;

: 76-01-7
pentachloroethane

: bis[(O-trimethylsilyl-N-diphenylphosphinimino)-4-(t-butyl)benzohydrazide]ethane

: bis[N-(diphenylphosphiniminoethane)-4-t-butyl-phenyl-N',O](dichloromethyl)siliconium chloride

Conditions

Conditions	Yield
In chloroform at 20℃; for 0.833333h;	46%

: 76-01-7
pentachloroethane

: 100-52-7
benzaldehyde

: 833-26-1
2,2,3,3,3-pentachloro-1-phenyl-propanol

Conditions

Conditions	Yield
With iodobenzene; tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide for 5.6h; Ambient temperature; electrolysis; Cd-coated cathode, Mg anode;	45%

: 76-01-7
pentachloroethane

A: 79-01-6
Trichloroethylene

B: 79-34-5
1,1,2,2-tetrachloroethane

Conditions

Conditions	Yield
With hexacarbonyl molybdenum at 140℃; for 3h; further reagent Fe(CO)5;	A 42% B 23%
With iron pentacarbonyl at 140℃; for 3h; further reagent Mo(CO)6;	A 27% B 23%

: 76-01-7
pentachloroethane

: 1067-87-4
Diethyl allylphosphonate

: (2,4,4,5,5-Pentachloro-pentyl)-phosphonic acid diethyl ester

Conditions

Conditions	Yield
With 2-hydroxy-2-phenylacetophenone; iron(III) chloride In acetonitrile at 130℃;	40%

: 76-01-7
pentachloroethane

A: 75-44-5
phosgene

B: 76-02-8
Trichloroacetyl chloride

Conditions

Conditions	Yield
Irradiation (UV/VIS); with Cl2 sensibilized photochemical oxidn., 80 to 100°C;	A 20% B n/a

: 110-89-4
piperidine

: 56-23-5
tetrachloromethane

: 76-01-7
pentachloroethane

: 127-18-4
1,1,2,2-tetrachloroethylene

Conditions

Conditions	Yield
at 20℃;

...Expand

: 540-59-0
1,2-Dichloroethylene

: 76-01-7
pentachloroethane

: 77753-24-3
1,1,2,3,4-pentachloro-butane

Conditions

Conditions	Yield
With aluminium trichloride at 40℃; 1,1,2,3,4-pentachloro-butane, solid form;
With aluminium trichloride at 40℃; 1,1,2,3,4-pentachloro-butane, liquid form;

: 540-59-0
1,2-Dichloroethylene

: 76-01-7
pentachloroethane

: 34973-41-6
1,1,2,2,3,4,4-heptachloro-butane

Conditions

Conditions	Yield
With aluminium trichloride at 40℃;

: 67-66-3
chloroform

: 76-01-7
pentachloroethane

: 594-89-8
1,1,1,2,2,3,3-heptachloropropane

Conditions

Conditions	Yield
With aluminium trichloride

PENTACHLOROETHANE Chemical Properties

MF: C₂HCl₅
MW: 202.29
EINECS: 200-925-1
Flash Point: 52 °C
Melting Point: -29--22°C
Index of Refraction: 1.508
Density: 1.68 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.502(lit.)
Enthalpy of Vaporization: 38.13 kJ/mol
Boiling Point: 161.1 °C at 760 mmHg
Vapour Pressure: 3.01 mmHg at 25°C
IUPAC Name: 1,1,1,2,2-pentachloroethane
Air & Water Reactions Insoluble in water.
Appearance: Colorless liquid with a sweetish, chloroform-like odor
Stability: Stable. Non-flammable.Incompatible with strong oxidizing agents. May react violently with alkaliesor metals.
Synonyms: Pentalin ; Pentachloroethane ; 1,1,1,2,2-Pentachloroethane ; 1,1,1,2,2-Pentachloro-ethane ; Epapesticidechemicalcode598300 ; Ethane pentachloride ; Ethane,pentachloro-
Following is the molecular structure of Pentachloroethane (76-01-7):

PENTACHLOROETHANE Uses

Pentachloroethane (76-01-7) is used as a solvent.

PENTACHLOROETHANE Production

Reactivity Profile: A mixture of Pentachloroethane (76-01-7) with potassium may explode after a short delay. Reaction with alkalis or metals will produce a violent reaction. Pentachloroethane also reacts violently with NaK alloy + bromoform. Pentachloroethane is incompatible with strong oxidizing agents.

PENTACHLOROETHANE Toxicity Data With Reference

1.	msc-mus:lyms 70 mg/L	EMMUEG Environmental and Molecular Mutagenesis. 12 (1988),85.
2.	sce-ham:ovr 100 mg/L	SCIEAS Science. 236 (1987),933.
3.	orl-mus TDLo:129 g/kg/2Y-I:CAR	NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-232 ,1982.
4.	orl-mus TD:258 g/kg/2Y-I:CAR	NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-232 ,1982.
5.	orl-rat LD50:920 mg/kg:	SCIEAS Science. 36 (1-4),(1989),10.
6.	ihl-rat LC50:4238 ppm/2H	85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,97.
7.	ihl-mus LCLo:35 mg/m3/2H	AEPPAE Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 141 (1929),19.
8.	orl-dog LDLo:500 mg/kg	AJHYA2 American Journal of Hygiene. 16 (1932),325.
9.	ivn-dog LDLo:100 mg/kg	QJPPAL Quarterly Journal of Pharmacy and Pharmacology. 7 (1934),205.
10.	scu-rbt LDLo:700 mg/kg

PENTACHLOROETHANE Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(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 Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 ,1986,p. 99.(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) . NTP Carcinogenesis Bioassay (gavage); Clear Evidence: mouse NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-232 ,1982. ; (gavage); No Evidence: rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-232 ,1982. . Reported in EPA TSCA Inventory.

PENTACHLOROETHANE Safety Profile

Poison by inhalation and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. An irritant. Questionable carcinogen with experimental carcinogenic data. Flammable when exposed to heat or flame. Moderately explosive by spontaneous chemical reaction. To fight fire, use water, CO₂, dry chemical. Dehalogenation by reaction with alkalies, metals, etc., will produce spontaneously explosive chloroacetylenes. Violent reaction with NaK alloy + bromoform. Mixtures with potassium are very shock-sensitive explosives. When heated to decomposition it emits highly toxic fumes of Cl⁻.
Safety Information of Pentachloroethane (76-01-7):
Hazard Codes: T,N
T: Toxic N: Dangerous for the environment
Risk Statements: 40-48/23-51/53-48/20-39/23/24/25-36/38-23/24/25-11
40: Limited evidence of a carcinogenic effect
48/23: Toxic: danger of serious damage to health by prolonged exposure through inhalation
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
48/20: Harmful: danger of serious damage to health by prolonged exposure through inhalation
39/23/24/25: Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed
36/38: Irritating to eyes and skin
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
11: Highly Flammable
Safety Statements: 23-36/37-45-61-26
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
36/37: Wear suitable protective clothing and gloves
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
61: Avoid release to the environment. Refer to special instructions safety data sheet
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RIDADR: UN 1669 6.1/PG 2
WGK Germany: 2
RTECS: KI6300000
HazardClass: 6.1
PackingGroup: II

Product Name

Pentachloroethane

Stability

Toxicology

Synthetic route

PENTACHLOROETHANE Chemical Properties

PENTACHLOROETHANE Uses

PENTACHLOROETHANE Production

PENTACHLOROETHANE Toxicity Data With Reference

PENTACHLOROETHANE Consensus Reports

PENTACHLOROETHANE Safety Profile

PENTACHLOROETHANE Standards and Recommendations

PENTACHLOROETHANE Analytical Methods

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