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; |
1,1-dichloroethane
A
1,1,1-trichloroethane
B
1,1,2-trichloroethane
C
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; |
chloroform
diazirine
A
1,1,1-trichloroethane
B
1,1,2-trichloroethane
Conditions | Yield |
---|---|
at -0.1℃; Product distribution; Irradiation; product yield from methylene neat, triplet sensitized photolysis or in C6F14 solution; |
Bromotrichloromethane
dimethylglyoxal
A
1,1,1-trichloroethane
B
butane-2,3-dione (enol form)
C
acetone
Conditions | Yield |
---|---|
In various solvent(s) Product distribution; Irradiation; |
A
Monodeuteromethan
B
1,1,1-trichloroethane
C
1,1-dichloro-1-deuterio-ethane
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; |
α,α-dichloroethyl radical
1,1,1-trichloroethane
Conditions | Yield |
---|---|
With chlorine at 140.85 - 599.85℃; Rate constant; Kinetics; |
dichloro(2,2-dichlorovinyl)methylsilane
A
Methyltrichlorosilane
B
1,1,1-trichloroethane
C
1,1-Dichloroethylene
Conditions | Yield |
---|---|
With hydrogenchloride; iron(III) chloride at 70℃; for 4h; Product distribution; Elimination; Addition; |
Chloro-(2,2-dichloro-vinyl)-dimethyl-silane
A
1,1,1-trichloroethane
B
1,1-Dichloroethylene
C
dimethylsilicon dichloride
Conditions | Yield |
---|---|
With hydrogenchloride; iron(III) chloride at 25 - 30℃; for 5h; Product distribution; Elimination; Addition; |
hydrogenchloride
aluminium trichloride
1,1-Dichloroethylene
1,1,1-trichloroethane
Conditions | Yield |
---|---|
at 120℃; |
hydrogenchloride
1,1-Dichloroethylene
iron(III) chloride
1,1,1-trichloroethane
hydrogenchloride
1,1-Dichloroethylene
iron(III) chloride
phenol
1,1,1-trichloroethane
ethane
chlorine
A
1,1-dichloroethane
B
chloroethane
C
1,1,1-trichloroethane
Conditions | Yield |
---|---|
at 100 - 300℃; |
1,1-Dichloroethylene
A
1-Chloro-1,1-difluoroethane
B
HCFC-141b
C
1,1,1-trichloroethane
Conditions | Yield |
---|---|
at 65℃; unter Druck; |
tetrachloromethane
ethane
chlorine
dibenzoyl peroxide
A
1,1-dichloroethane
B
chloroethane
C
1,1,1-trichloroethane
D
pentachloroethane
Conditions | Yield |
---|---|
at 60 - 70℃; Produkt 5: Tetrachloraethan; |
aluminium trichloride
isopropyl chloride
1,1-Dichloroethylene
pentane
A
1,1,1-trichloroethane
B
1,1-Dichloro-3-methyl-1-butene
Conditions | Yield |
---|---|
at 1 - 20℃; reagiert analog mit Cyclohexylchlorid; |
diethylsulfone
A
1,1,1-trichloroethane
B
1,1,1,2-tetrachoroethane
C
1-chloro-1-ethanesulfonyl-ethane
Conditions | Yield |
---|---|
at 150℃; |
2,2-dichloropropanal
chlorine
A
phosgene
B
1,1,1-trichloroethane
C
2,2-dichloropropionyl chloride
D
2,2-Dichloropropionic acid
Conditions | Yield |
---|---|
im UV-Licht; |
2,2-dichloropropanal
acetyl cyclohexanesulfonyl peroxide
chlorine
A
phosgene
B
1,1,1-trichloroethane
C
2,2-dichloropropionyl chloride
D
2,2-Dichloropropionic acid
Conditions | Yield |
---|---|
at 50 - 60℃; |
aluminium trichloride
1,1-Dichloroethylene
cyclohexyl chloride
A
1,1,1-trichloroethane
B
2-cyclohexyl-1,1-dichloroethylene
chloroethane
carbon dioxide
chlorine
A
1,1-dichloroethane
B
ethene
C
1,1,1-trichloroethane
D
1,2-dichloro-ethane
Conditions | Yield |
---|---|
at 415℃; |
chloroethane
A
1,1-dichloroethane
B
1,1,1-trichloroethane
C
1,1,2-trichloroethane
D
1,2-dichloro-ethane
Conditions | Yield |
---|---|
unter Belichtung;auch hoeher chlorierte Aethane auftreten; |
chloroethane
A
1,1-dichloroethane
B
1,1,1-trichloroethane
C
1,1,2-trichloroethane
D
1,2-dichloro-ethane
Conditions | Yield |
---|---|
unter Belichtung; |
Conditions | Yield |
---|---|
With aluminium trichloride Product distribution; Ambient temperature; |
Conditions | Yield |
---|---|
With sodium hydroxide | 99% |
1,1,1-trichloroethane
4,4'-Dichlorobenzophenone
4,4'-dichloro-3,3'-dinitrobenzophenone
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid | 99% |
Conditions | Yield |
---|---|
With aluminium trichloride In 1,2-dichloro-ethane at 25℃; for 2h; Frieldel-Crafts reaction; | 98% |
With aluminum (III) chloride In 1,2-dichloro-ethane at 0℃; |
Conditions | Yield |
---|---|
With aluminium trichloride In 1,2-dichloro-ethane at 0 - 5℃; for 1h; Frieldel-Crafts reaction; | 98% |
With aluminum (III) chloride In 1,2-dichloro-ethane at 0℃; |
1,1,1-trichloroethane
Cyclopropylacetylene
tri(2-cyclopropylethynyl)methylsilane
Conditions | Yield |
---|---|
Stage #1: Cyclopropylacetylene With ethylmagnesium chloride In tetrahydrofuran for 0.333333h; Stage #2: 1,1,1-trichloroethane In tetrahydrofuran at 70℃; for 1h; | 98% |
Conditions | Yield |
---|---|
Grubbs catalyst first generation at 75℃; for 1.5h; Kharasch addition; | 96% |
With (η5-1-t-Bu-2-PhC≡C-(1,2-azaboronyl))RuCl(PPh3)2 In toluene at 85℃; for 5h; Schlenk technique; Inert atmosphere; Glovebox; | 93% |
With N,N,N,N,N,N-hexamethylphosphoric triamide; iron pentacarbonyl |
1,1,1-trichloroethane
A
1,1,1,2-tetrachoroethane
B
1,1-Dichloroethylene
C
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% |
1,1,1-trichloroethane
ethenyltrimethylsilane
B
Trimethyl-(1,3,3-trichloro-butyl)-silane
Conditions | Yield |
---|---|
With iron pentacarbonyl; triphenylphosphine at 105℃; for 3h; | A 4% B 92% |
With iron pentacarbonyl; triphenylphosphine at 105℃; for 3h; further reagents DMF, HMPTA, 2-propanol; | A 4% B 92% |
1,1,1-trichloroethane
acrylic acid methyl ester
Conditions | Yield |
---|---|
Grubbs catalyst first generation at 75℃; for 2h; Kharasch addition; | 91% |
With (η5-1-t-Bu-2-PhC≡C-(1,2-azaboronyl))RuCl(PPh3)2 In toluene at 85℃; for 5h; Schlenk technique; Inert atmosphere; Glovebox; | 60% |
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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