Name: 1,1,1 -Trich loroethane
SKU: 71-55-6

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Basic Information

Molecular Structure:
CAS No.:	71-55-6
Name:	1,1,1 -Trich loroethane
Article Data:	54

Formula:	C₂H₃Cl₃
Molecular Weight:	133.405
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;
EINECS:	200-756-3
Density:	1.393 g/cm³
Melting Point:	-35 °C(lit.)
Boiling Point:	74.1 °C at 760 mmHg
Flash Point:	11°C
Solubility:	1.4 g/L (20 °C) in water
Appearance:	colourless liquid with a mild ether-like odour
Hazard Symbols:	Xn, N, T, F
Risk Codes:	20-59-66-40-19-39/23/24/25-23/24/25-11
Safety:	24/25-59-61-9-46-16-45-36/37
Transport Information:	UN 2831 6.1/PG 3
PSA:	0.00000
LogP:	2.37650

Synthetic route

: 75-34-3
1,1-dichloroethane

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

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

Conditions

Conditions	Yield
With chlorine at 25℃; for 0.05h; Irradiation;	A 92.6% B 4.8%
Chlorierung im Licht;
With chlorine In chlorobenzene at 20℃; Product distribution; Irradiation; var. conc., presence of chloroethane;

: 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

: 56-23-5
tetrachloromethane

: 74-88-4
methyl iodide

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

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; N,N-dimethyl-formamide electrochemical reaction;	50%

: 75-34-3
1,1-dichloroethane

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

Conditions

Conditions	Yield
With chlorine

: 75-35-4
1,1-Dichloroethylene

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

Conditions

Conditions	Yield
With hydrogenchloride; iron(III) chloride; phenol
With hydrogenchloride; aluminium trichloride
With hydrogenchloride; iron(III) chloride

: 75-34-3
1,1-dichloroethane

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

B: 10403-60-8
2,2,3-trichloro-butane

Conditions

Conditions	Yield
With chlorine Mechanism; Irradiation; var. temperature, concns. of Cl2, O2, laser fluence;

: 67-66-3
chloroform

: 157-22-2
diazirine

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

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

Conditions

Conditions	Yield
at -0.1℃; Product distribution; Irradiation; product yield from methylene neat, triplet sensitized photolysis or in C6F14 solution;

...Expand

: 75-62-7
Bromotrichloromethane

: 431-03-8
dimethylglyoxal

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

B: 73623-81-1
butane-2,3-dione (enol form)

C: 67-64-1
acetone

Conditions

Conditions	Yield
In various solvent(s) Product distribution; Irradiation;

...Expand

: [Pt(IV)Me4(2,2'-bipyridine)]

A: 676-49-3
Monodeuteromethan

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

C: 65284-20-0
1,1-dichloro-1-deuterio-ethane

Conditions

Conditions	Yield
With chloroform-d1 Irradiation;

...Expand

: 75-35-4
1,1-Dichloroethylene

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

B: 64-19-7
acetic acid

Conditions

Conditions	Yield
With hydrogenchloride; fluorinated γ-alumina at 200℃; Product distribution; other temperatures; also with HF as a reagent;

Raw Materials

157-22-2

75-34-3

109-66-0

Downstream Products

593-63-5

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- China (Mainland)(20)
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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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