2-(Chloromethyl)-2-propenenitrile
Basic information
- CAS
7659-44-1- Standard SMILES
C=C(C#N)CCl- InChIKey
QIBPJPNDSZRXRO-UHFFFAOYSA-N- Molecular formula
- C4H4ClN
- Average molar mass
- 101.53 g/mol
- Monoisotopic mass
- 101.00322681
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-2-propenenitrile
- IUPAC
- 2-(chloromethyl)prop-2-enenitrile
- English name
- 2-(Chloromethyl)acrylonitrile
- Molecular formula
- C4H4ClN
- Molecular weight
- 101.53
Names & synonyms
2-(chloromethyl)prop-2-enenitrile2-(Chloromethyl)-2-propenenitrileRefChem:460167984-178-37659-44-1ACRYLONITRILE, 2-(CHLOROMETHYL)-2-(Chloromethyl)acrylonitrile2-Propenenitrile, 2-(chloromethyl)-GJ53D35TK5NSC-231694alpha-(Chloromethyl)acrylonitrileC4H4ClN
Show more names
Acrylonitrile, alpha-(chloromethyl)-NSC 231694BRN 1098488NSC231694WLN: G1YU1&CNUNII-GJ53D35TK53-02-00-01297 (Beilstein Handbook Reference)2-(chloromethyl)-acrylonitrile
Database identifiers
- CAS
7659-44-1- PubChem CID
- 24308
- DTXSID
DTXSID20227393- UNII
- GJ53D35TK5
- EC Number
- 984-178-3
- Nikkaji
- J55.140F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 97.4
Physicochemical properties
- Melting point
- 113.8 · 113.8-114.2 °C
- Boiling point
- 65.6 °C · 65.6 °C(Press: 20 Torr)
- Density
- 1.11754 · 1.11754-1.11755 g/cm3(Temp: 15 °C)
- FDA UNII
- 53 D35TK5 · GJ53D35TK5
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P361+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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