A7690712
Trichloroacetonitrile , 98% , 545-06-2
Synonym(s):
Trichloroacetonitrile;Trichloromethylnitrile
CAS NO.：545-06-2
Empirical Formula: C2Cl3N
Molecular Weight: 144.39
MDL number: MFCD00001842
EINECS: 208-885-7
Update time: 2022-07-08
PRODUCT Properties
| 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 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| Dielectric constant | 4.6（60℃） |
| 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) |
Description and 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.
Safety
| 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 |
| Hazardous Substances Data | 545-06-2(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 0.25 g/kg (Smyth) |
