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Trichloroacetonitrile, 98%
CAS: 545-06-2 | C2Cl3N | 144.379 g/mol
$84.01 - $635.51
Chemical Identifiers
| CAS | 545-06-2 |
|---|---|
| Molecular Formula | C2Cl3N |
| Molecular Weight (g/mol) | 144.379 |
| MDL Number | MFCD00001842 |
| InChI Key | DRUIESSIVFYOMK-UHFFFAOYSA-N |
| Synonym | trichloroacetonitrile, acetonitrile, trichloro, tritox, cyanotrichloromethane, trichloromethyl cyanide, trichloroethanenitrile, trichlouracetonitril, trichlor-acetonitrile, trichloromethylnitrile, nitrile trichloracetique |
| PubChem CID | 11011 |
| ChEBI | CHEBI:82541 |
| IUPAC Name | 2,2,2-trichloroacetonitrile |
| SMILES | C(#N)C(Cl)(Cl)Cl |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
|---|---|---|---|---|---|---|---|---|---|
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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AAA1056518
|
Thermo Scientific Chemicals
A1056518 |
50 g |
Each for $84.01
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AAA1056530
|
Thermo Scientific Chemicals
A1056530 |
250 g |
Each for $188.89
|
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AAA105650B
|
Thermo Scientific Chemicals
A105650B |
1000 g |
Each for $635.51
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Description
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.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
ApplicationsTrichloroacetonitrile 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.
Solubility
Miscible with most organic solvents. Immiscible with water.
Notes
Incompatible with strong acids, strong bases, strong oxidizing agents and strong reducing agents.
Chemical Identifiers
| 545-06-2 | |
| 144.379 | |
| DRUIESSIVFYOMK-UHFFFAOYSA-N | |
| 11011 | |
| 2,2,2-trichloroacetonitrile |
| C2Cl3N | |
| MFCD00001842 | |
| trichloroacetonitrile, acetonitrile, trichloro, tritox, cyanotrichloromethane, trichloromethyl cyanide, trichloroethanenitrile, trichlouracetonitril, trichlor-acetonitrile, trichloromethylnitrile, nitrile trichloracetique | |
| CHEBI:82541 | |
| C(#N)C(Cl)(Cl)Cl |
Specifications
| 545-06-2 | |
| 1.44 | |
| 98% | |
| 1.441 | |
| MFCD00001842 | |
| UN3276 | |
| 14,9628 | |
| Miscible with most organic solvents. Immiscible with water. | |
| C(#N)C(Cl)(Cl)Cl | |
| 144.379 | |
| CHEBI:82541 | |
| 98% |
| -44°C | |
| 85°C to 86°C | |
| C2Cl3N | |
| Cl3CCN | |
| 50 g | |
| 605572 | |
| trichloroacetonitrile, acetonitrile, trichloro, tritox, cyanotrichloromethane, trichloromethyl cyanide, trichloroethanenitrile, trichlouracetonitril, trichlor-acetonitrile, trichloromethylnitrile, nitrile trichloracetique | |
| DRUIESSIVFYOMK-UHFFFAOYSA-N | |
| 2,2,2-trichloroacetonitrile | |
| 11011 | |
| 144.39 | |
| Trichloroacetonitrile |
Safety and Handling
GHS H Statement
H301-H311-H331
P261-P264b-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P330-P361-P363-P501c
H301+H311+H331
DOTInformation : Hazard Class: 6.1; Packaging Group: II
EINECSNumber : 208-885-7
RTECSNumber : AM2450000
TSCA : Yes
Recommended Storage : Ambient temperatures
RUO – Research Use Only