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| CAS No.: | 76-01-7 | |
|---|---|---|
| Name: | Pentachloroethane | |
| Molecular Structure: | ||
|
|
||
| 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: |
negligibleStability
Toxicology
|
|
| 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 | |
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| 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 | 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% |
- 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 | 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% |
- 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 | 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% |
- 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 | 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% |
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
C
- 434340-53-1
1,1,1-trifluoro-N-(2,2,2-trichloroethylidene)methanesulfonamide
| Conditions | Yield |
|---|---|
| at 20℃; for 25h; | A n/a B n/a C 35% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| at 85 - 90℃; for 10h; | A n/a B n/a C 28% D n/a |
- Total:7 Page 1 of 1 1
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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):
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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 .gif){kind=small}
N: Dangerous for the environment.gif){kind=small}
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.