Basic information
- CAS
421-05-6- Standard SMILES
N#CC(F)(F)Cl- InChIKey
GUIPZCNIFDPABQ-UHFFFAOYSA-N- Molecular formula
- C2ClF2N
- Average molar mass
- 111.48 g/mol
- Monoisotopic mass
- 110.968733
Names & identifiers
- Preferred name
- Chlorodifluoroacetonitrile
- IUPAC
- 2-chloro-2,2-difluoroacetonitrile
- English name
- Chlorodifluoroacetonitrile
- Molecular formula
- C2ClF2N
- Molecular weight
- 111.48
Names & synonyms
Chlorodifluoroacetonitrile2-chloro-2,2-difluoroacetonitrileAcetonitrile, 2-chloro-2,2-difluoro-EINECS 207-000-1RefChem:575818Chlorodifluoromethyl cyanideAcetonitrile, chlorodifluoroAcetonitrile, 2chloro2,2difluoro207-000-1421-05-6Acetonitrile, chlorodifluoro-QLA3R5ELM5
Show more names
chlorodifluoro-acetonitrilChlorodifluoroacetonitrile97%2-chloro-2,2-difluoro-acetonitrile2-chloro-2,2-difluoro-ethanenitrile
Chlorodi(fluoro)acetonitrileSCHEMBL1703964DTXSID9059961AKOS006229673DB-050846NS00042812
Database identifiers
- CAS
421-05-6- PubChem CID
- 67897
- DTXSID
DTXSID9059961- UNII
- QLA3R5ELM5
- EC Number
- 207-000-1
- Nikkaji
- J110.409H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 91
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
Physical DescriptionWhite gas with a pungent odor; [Fairfield MSDS]
Physicochemical properties
- Boiling point
- -18 °C · -18°C
- FDA UNII
- 3 R5ELM5 · QLA3R5ELM5
- EPA Substance Registry System
- Acetonitrile, chlorodifluoro- (421-05-6)
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 36 · 36/37/39-45
- Hazard Note
- Toxic
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Trifluoroacetonitrile, Trichloroacetonitrile, See NITRILES.
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Safety data
- tsca
- TSCA listed
- risk_code
- 23/24/25
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 36/37/39-45
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetonitrile, 2-chloro-2,2-difluoro-: INACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…