Trichloroacetonitrile
- CAS No.
- 545-06-2
- Chemical Name:
- Trichloroacetonitrile
- Synonyms
- CCl3CN;2,2,2-Trichloroacetonitrile;Tritox;Trichloroaceto;Chlorocyanohydrin;Trichlroacetonitrile;TRICHLORACETONITRILE;Trichlouracetonitril;TRIBROMOACETONITRILE;Trichlor-acetonitril
- CBNumber:
- CB5853801
- Molecular Formula:
- C2Cl3N
- Molecular Weight:
- 144.39
- MOL File:
- 545-06-2.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/1/11 10:01:38
| 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 |
n |
| Flash point | None |
| storage temp. | Store below +30°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 |
| Water Solubility | <0.1 g/100 mL at 21.5 ºC |
| Sensitive | Lachrymatory |
| Merck | 14,9628 |
| BRN | 605572 |
| Dielectric constant | 4.6（60℃） |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| Stability | Stable, but water sensitive. Incompatible with acids, water, steam. May hydrolyze in alkali or acid conditions. Flammable. |
| 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 | Trichloroacetonitrile (545-06-2) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS06,GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301+H311+H331-H411 | |||||||||
| Precautionary statements | P261-P273-P280-P301+P310-P302+P352+P312-P304+P340+P311 | |||||||||
| Hazard Codes | T,N | |||||||||
| Risk Statements | 23/24/25-51/53 | |||||||||
| Safety Statements | 45-61 | |||||||||
| 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 | |||||||||
| Toxicity | LD50 orally in rats: 0.25 g/kg (Smyth) | |||||||||
| NFPA 704 |
|
Trichloroacetonitrile price More Price(8)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | T53805 | Trichloroacetonitrile 98% | 545-06-2 | 5G | ₹5423.33 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | T53805 | Trichloroacetonitrile 98% | 545-06-2 | 100G | ₹11084.8 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | T53805 | Trichloroacetonitrile 98% | 545-06-2 | 500G | ₹26900.13 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 8.08222 | Trichloroacetonitrile for synthesis | 545-06-2 | 50ML | ₹5670 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 8.08222 | Trichloroacetonitrile for synthesis | 545-06-2 | 250ML | ₹14440 | 2022-06-14 | Buy |
Trichloroacetonitrile Chemical Properties,Uses,Production
Chemical Properties
colourless to slightly yellow liquid
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.
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.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
May be sensitive to light and heat. Trichloroacetonitrile may react with water, steam, acid or acid fumes. Trichloroacetonitrile may hydrolyze under acidic or alkaline conditions. . The reaction of benzene and Trichloroacetonitrile 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.).
Hazard
Strong irritant to tissue. Questionable carcinogen.
Fire Hazard
Trichloroacetonitrile is combustible.
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.
Trichloroacetonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| JSK Chemicals | 58 |
| CNS CHEMICALS | 58 |
| Sujan Chemicals Industries | 58 |
| OCEAN TRADING CORPORATION | 58 |
| CHEMSWORTH | 30 |
| CLEARSYNTH LABS LTD. | 58 |
| Shreeji Pharma International | 58 |
| Niranjan Chemicals | 58 |
| Finch Exports | 58 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
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