2,2,3-Trichloropropanenitrile
Basic information
- CAS
12408-07-0- Standard SMILES
N#CC(Cl)(Cl)CCl- InChIKey
XMVOGXZDRUZXAP-UHFFFAOYSA-N- Molecular formula
- C3H2Cl3N
- Average molar mass
- 158.41 g/mol
- Monoisotopic mass
- 156.925282
Names & identifiers
- Preferred name
- 2,2,3-Trichloropropanenitrile
- IUPAC
- 2,2,3-trichloropropanenitrile
- English name
- 2,2,3-Trichloropropionitrile
- Molecular formula
- C3H2Cl3N
- Molecular weight
- 158.41
Names & synonyms
813-74-12,2,3-Trichloropropanenitrile2,2,3-TrichloropropiononitrileDTXSID201033674RefChem:1058979DTXCID201353559212-388-02,2,3-TrichloropropionitrileTrichloropropionitrilePropanenitrile, 2,2,3-trichloro-2,2,3-TrichlorpropannitrilPROPIONITRILE, 2,2,3-TRICHLORO-
Show more names
A,A,B-TRICHLOROPROPIONITRILE2,2,3-trichloro-propionitril2,2,3-trichloro-propanenitrilalphaalphabeta-trichloropropionitrile
Propionitrile, trichloro-Propanenitrile, trichloro-alpha,alpha,beta-TrichloropropionitrileNSC 2589EINECS 212-388-02,2,3-Trichlorpropannitril [Czech]BRN 1748667Propionitrile, alpha,alpha,beta-trichloro-
Database identifiers
- CAS
12408-07-0、813-74-1- PubChem CID
- 13133
- DTXSID
DTXSID201033674- EC Number
- 212-388-0
- Nikkaji
- J100.862E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 260.89 °C · 260.89°C (rough estimate)
- Density
- 1.8997 · 1.8997 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 250 mg/kg 85JCAE -,908,1986
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 250 mg/kg 85JCAE -,908,1986
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
2 records
Compound notes
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