| Identification | More | [Name]
Trichloroacetonitrile | [CAS]
545-06-2 | [Synonyms]
Chlorocyanohydrin
cyanotrichloromethane
TRIBROMOACETONITRILE
TRICHLOROACETONITRILE
trichloromethyl cyanide
acetonitrile,trichloro-
CCl3CN
Nitrile trichloracetique
nitriletrichloracetique
Trichlor-acetonitril
Trichlormethylkyanid
trichloro-acetonitril
Trichloroethanenitrile
Trichloromethylnitrile
Trichlouracetonitril
Tritox
trichloromethylcarbonitrile
Trichlroacetonitrile
TRICHLOROACETONITRILE, 1000MG, NEAT
Trichloroacetonitrile,97% | [EINECS(EC#)]
208-885-7 | [Molecular Formula]
C2Cl3N | [MDL Number]
MFCD00001842 | [Molecular Weight]
144.39 | [MOL File]
545-06-2.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless to slightly yellow liquid | [Melting point ]
-42 °C | [Boiling point ]
83-84 °C(lit.) | [density ]
1.44 g/mL at 25 °C(lit.)
| [vapor pressure ]
58 mm Hg ( 20 °C)
| [refractive index ]
n20/D 1.441(lit.)
| [Fp ]
None | [storage temp. ]
0-6°C
| [solubility ]
<0.1 g/100 mL at 21.5°C | [form ]
Liquid | [color ]
Clear colorless to very slightly yellow | [Odor]
odor of chloral and hydrogen cyanide | [Stability:]
Stable, but water sensitive. Incompatible with acids, water, steam. May hydrolyze in alkali or acid conditions. Flammable. | [Water Solubility ]
<0.1 g/100 mL at 21.5 ºC | [Sensitive ]
Lachrymatory | [Detection Methods]
GC | [Merck ]
14,9628 | [BRN ]
605572 | [Dielectric constant]
4.6（60℃） | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [CAS DataBase Reference]
545-06-2(CAS DataBase Reference) | [IARC]
3 (Vol. 52, 71) 1999 | [NIST Chemistry Reference]
Acetonitrile, trichloro-(545-06-2) | [EPA Substance Registry System]
545-06-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T,N | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 3276 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
AM2450000
| [Hazard Note ]
Toxic/Lachrymatory | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29269095 | [Safety Profile]
Poison by ingestion and
intravenous routes. Moderately toxic by
inhalation and skin contact. Human
mutation data reported. A skin and severe
eye irritant. An experimental teratogen.
Other experimental reproductive effects.
When heated to decomposition or in
reaction with water, steam, acid, or acid
fumes it produces toxic fumes of CN-, Cl-,
and NOx. Used as an insecticide. See also
NITRILES and CYANIDE. | [Hazardous Substances Data]
545-06-2(Hazardous Substances Data) | [Toxicity]
LD50 orally in rats: 0.25 g/kg (Smyth) |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Phosphorus pentoxide-->2,2,2-Trichloroacetamide | [Preparation Products]
Trifluoroacetic acid-->2,5-DIHYDROXYBENZONITRILE-->2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL TRICHLOROACETIMIDATE-->Tetramethoxymethane-->2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl 2,2,2-Trichloroacetimidate-->2-Propynenitrile, 3-phenyl- (9CI)-->BENZYL 2,2,2-TRICHLOROACETIMIDATE-->DIMETHYL PHOSPHOROCHLORIDATE |
| Hazard Information | Back Directory | [General Description]
Clear pale yellow liquid. | [Reactivity Profile]
May be sensitive to light and heat. This compound may react with water, steam, acid or acid fumes. TRICHLOROACETONITRILE(545-06-2) may hydrolyze under acidic or alkaline conditions. . The reaction of benzene and TRICHLOROACETONITRILE(545-06-2) evolves toxic chloroform and HCl gasses. (Hagedorn, F., H.-P. Gelbke, and Federal Republic of Germany. 2002. Nitriles. In Ullman Encyclopedia of Industrial Chemistry. Wiley-VCH Verlag GmbH & Co. KGaA.). | [Air & Water Reactions]
Highly flammable. Insoluble in water. | [Fire Hazard]
This chemical is combustible. | [Chemical Properties]
colourless to slightly yellow liquid | [Uses]
Insecticide. | [Uses]
Trichloroacetonitrile is involved as a reagent in Overman rearrangement, which is used to prepare alylic amines from allylic alcohols. It is also used to prepare bistrichloroacetimidates from diols leading to dihyrooxazines through acid catalyzed cyclization. Further, it is utilized in the synthesis of trichloroacetimidates by 1,8-Diazobicyclo[5.4.0]undec-7-ene (DBU) catalyzed addition of allylic alcohols. It finds application in the study of the methoxy methyl (MOM) catalyzed aza-Claisen rearrangement. | [Definition]
ChEBI: Trichloroacetonitrile is an aliphatic nitrile and an organochlorine compound. | [Production Methods]
Trichloroacetonitrile can be obtained by dehydration of trichloroacetamide with phosphorous pentoxide or by chlorination of acetonitrile with chlorine. Vapor phase chlorination in the presence of water and photochemical chlorination in the presence of catalysts such as HgCl2 or AlCl3 have been reported. Trichloroacetonitrile is an organic intermediate used, for example, in the synthesis of the fungicide etridiazole. | [Hazard]
Strong irritant to tissue. Questionable carcinogen. |
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