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76-01-7

Basic Information
CAS No.: 76-01-7
Name: Pentachloroethane
Article Data: 90
Molecular Structure:
Molecular Structure of 76-01-7 (Pentachloroethane)
Formula: C2H Cl5
Molecular Weight: 202.295
Synonyms: Ethane,pentachloro- (8CI,9CI); 1,1,1,2,2-Pentachloroethane; Pentachloroethane;Pentalin
EINECS: 200-925-1
Annex I Index No: 602-017-00-4<
Density: 1.68g/mLat 25°C(lit.)
Melting Point: -29 C
Boiling Point: 162 C
Flash Point: 162°C
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
Appearance: colourless liquid with a camphor-like smell
Hazard Symbols: Moderate fire and explosion risk. Toxic by inhalation and ingestion.
Risk Codes: R40;R48/23;R51/53;
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.

PSA: 0.00000
LogP: 3.16030
Synthetic route
79-01-6

Trichloroethylene

76-01-7

pentachloroethane

Conditions
ConditionsYield
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
ConditionsYield
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%
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
ConditionsYield
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%
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
ConditionsYield
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%
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
ConditionsYield
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%
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
ConditionsYield
With hydrogenchloride; oxygen at 379.84℃;A 20.8%
B 64.3%
C 6.1%
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
ConditionsYield
With air for 11h; Heating;A n/a
B n/a
C n/a
D 37%
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
ConditionsYield
at 20℃; for 25h;A n/a
B n/a
C 35%
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
ConditionsYield
With chlorine for 3h; Further byproducts given;A 5%
B 2%
C 30%
D 33%
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
ConditionsYield
at 85 - 90℃; for 10h;A n/a
B n/a
C 28%
D n/a
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Chemistry

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):

Uses

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

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. 
 

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

   

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.

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  

Standards and Recommendations

DFG MAK: 5 ppm (42 mg/m3)
DOT Classification:  6.1; Label: Poison

Analytical Methods

For occupational chemical analysis use NIOSH: Pentachloroethane, 2517.