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| CAS No.: | 71-55-6 |
|---|---|
| Name: | 1,1,1 -Trich loroethane |
| Molecular Structure: | |
|
|
|
| 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 |
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| 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 | 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% |
| Conditions | Yield |
|---|---|
| With tetra-(n-butyl)ammonium iodide; N,N-dimethyl-formamide electrochemical reaction; | 50% |
| Conditions | Yield |
|---|---|
| With chlorine |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; iron(III) chloride; phenol | |
| With hydrogenchloride; aluminium trichloride | |
| With hydrogenchloride; iron(III) chloride |
| Conditions | Yield |
|---|---|
| With chlorine Mechanism; Irradiation; var. temperature, concns. of Cl2, O2, laser fluence; |
| Conditions | Yield |
|---|---|
| at -0.1℃; Product distribution; Irradiation; product yield from methylene neat, triplet sensitized photolysis or in C6F14 solution; |
- 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 | Yield |
|---|---|
| In various solvent(s) Product distribution; Irradiation; |
| Conditions | Yield |
|---|---|
| With chloroform-d1 Irradiation; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; fluorinated γ-alumina at 200℃; Product distribution; other temperatures; also with HF as a reagent; |
- 6106-21-4Disodium succinate hexahydrate
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- 107-31-3Methyl formate
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- Total:20 Page 1 of 1 1
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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. |