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1,1,1-Trichloroethane

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Name

1,1,1-Trichloroethane

EINECS 200-756-3
CAS No. 71-55-6 Density 1.393 g/cm3
Solubility 1.4 g/L (20 °C) in water Melting Point -35 °C(lit.)
Formula C2H3Cl3 Boiling Point 74.1 °C at 760 mmHg
Molecular Weight 133.40 Flash Point
Transport Information UN 2831 6.1/PG 3 Appearance colourless liquid with a mild ether-like odour
Safety 24/25-59-61-9-46-16-45-36/37 Risk Codes 20-59-66-40-19-39/23/24/25-23/24/25-11
Molecular Structure Molecular Structure of 71-55-6 (1,1,1-Trichloroethane) Hazard Symbols HarmfulXn, DangerousN, ToxicT, FlammableF
Synonyms

Ethana NU;Ethane,1,1,1-trichloro-;F 140a;Three One S;Chlorten;Cleanite;Methylchloroform;Tafclean;Chlorothene;Methyltrichloromethane;Solvent 111;Chlorotene;Chlorothene SM;1,1, 1-Tricloroetano;1,1, 1-Trichloraethan;Chloroform, methyl-;Chlorothene VG;Three One A;NCI-C04626;Genklene LB;Chloroethene NU;Chlorothane NU;

 

1,1,1-Trichloroethane Specification

The 1,1,1-Trichloroethane, with the CAS registry number 71-55-6,is also known as Methylchloroform; Methyltrichloromethane. It belongs to the product categories of Industrial/Fine Chemicals;CFC;refrigerants;Organics.This chemical's molecular formula is C2H3Cl3 and molecular weight is 133.40.Its EINECS number is 200-756-3. What's more,Its systematic name is 1,1,1-Trichloroethane.It is a White Solid and store in the Refrigerator.It is A colorless liquid with a sweet, pleasant odor. May irritate skin, eyes and mucous membranes. In high concentrations the vapors may have a narcotic effect. Nonflammable, but may decompose and emit toxic chloride fumes if exposed to high temperatures. Used as a solvent.

Physical properties about 1,1,1-Trichloroethane are:
(1)ACD/LogP: 2.346; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.75; (6)ACD/BCF (pH 7.4): 35.75; (7)ACD/KOC (pH 5.5): 450.21; (8)ACD/KOC (pH 7.4): 450.21; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 25.828 cm3; (14)Molar Volume: 95.751 cm3; (15)Surface Tension: 28.9699993133545 dyne/cm; (16)Density: 1.393 g/cm3; (17)Flash Point: -3.731 °C; (18)Enthalpy of Vaporization: 29.86 kJ/mol; (19)Boiling Point: 74.079 °C at 760 mmHg; (20)Vapour Pressure: 121.649002075195 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:ClC(Cl)(Cl)C;
(2)Std. InChI:InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3;
(3)Std. InChIKey:UOCLXMDMGBRAIB-UHFFFAOYSA-N.

Safety Information of 1,1,1-Trichloroethane:
(1)Harmful by inhalation; (2)Dangerous for the ozone layer; (3)Repeated exposure may cause skin dryness or cracking; (4)Limited evidence of a carcinogenic effect; (5)May form explosive peroxides; (6)Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed; (7)Toxic by inhalation, in contact with skin and if swallowed; (8)Highly Flammable; (9)Avoid contact with skin and eyes; (10)Refer to manufacturer/supplier for information on recovery/recycling ; (11)Avoid release to the environment. Refer to special instructions safety data sheet; (12)Keep container in a well-ventilated place; (13)If swallowed, seek medical advice immediately and show this container or label; (14)Keep away from sources of ignition - No smoking; (15)In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); (16)Wear suitable protective clothing and gloves.

The toxicity data of 1,1,1-Trichloroethane as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LC50 inhalation 24400mg/m3 (24400mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(8), Pg. 127, 1970.
dog LD50 intraperitoneal 3100mg/kg (3100mg/kg) LIVER: LIVER FUNCTION TESTS IMPAIRED Toxicology and Applied Pharmacology. Vol. 10, Pg. 119, 1967.
dog LD50 oral 750mg/kg (750mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C310, 1991.
dog LDLo intravenous 95mg/kg (95mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 72, 1959.
guinea pig LD50 oral 9470mg/kg (9470mg/kg)   American Industrial Hygiene Association Journal. Vol. 19, Pg. 353, 1958.
human TCLo inhalation 920ppm/70M (920ppm) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
American Industrial Hygiene Association Journal. Vol. 19, Pg. 353, 1958.
human TDLo oral 670mg/kg (670mg/kg) GASTROINTESTINAL: OTHER CHANGES

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING
National Technical Information Service. Vol. PB257-185,
man TCLo inhalation 200ppm/4H (200ppm) BEHAVIORAL: IRRITABILITY

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Archives of Toxicology, Supplement. Vol. 5, Pg. 96, 1982.
man TCLo inhalation 200ppm/4H (200ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION International Archives of Occupational and Environmental Health. Vol. 72, Pg. 485, 1999.
man TCLo inhalation 350ppm (350ppm) BEHAVIORAL: CHANGES IN PSYCHOPHYSIOLOGICAL TESTS

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Work, Environment, Health. Vol. 10, Pg. 82, 1973.
monkey LC inhalation > 5000ppm/7H (5000ppm) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
Archives of Industrial Hygiene and Occupational Medicine. Vol. 1, Pg. 225, 1950.
mouse LC50 inhalation 3911ppm/2H (3911ppm) BEHAVIORAL: EXCITEMENT Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 13, Pg. 226, 1971.
mouse LD50 intraperitoneal 2568mg/kg (2568mg/kg)   Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 8, Pg. 371, 1966.
mouse LD50 oral 6gm/kg (6000mg/kg)   Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 29, Pg. 45, 1990.
mouse LD50 oral 6gm/kg (6000mg/kg) CARDIAC: PULSE RATE Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 29, Pg. 45, 1990.
mouse LD50 subcutaneous 16gm/kg (16000mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SLEEP
Journal of Pharmacology and Experimental Therapeutics. Vol. 123, Pg. 224, 1958.
rabbit LD50 oral 5660mg/kg (5660mg/kg)   American Industrial Hygiene Association Journal. Vol. 19, Pg. 353, 1958.
rabbit LDLo skin 15800mg/kg (15800mg/kg)   American Industrial Hygiene Association Journal. Vol. 19, Pg. 353, 1958.
rabbit LDLo subcutaneous 500mg/kg (500mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 72, 1959.
rat LC50 inhalation 18000ppm/4H (18000ppm)   "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 28, 1972.
rat LD50 intraperitoneal 3593mg/kg (3593mg/kg)   Environmental Research. Vol. 40, Pg. 411, 1986.
rat LD50 oral 9600mg/kg (9600mg/kg)   Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 29, Pg. 45, 1990.
rat LD50 oral 9600mg/kg (9600mg/kg) CARDIAC: PULSE RATE Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 29, Pg. 45, 1990.

 

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