o-Chlorobenzylmalononitrile
Basic information
- CAS
40915-55-7- Standard SMILES
N#CC(C#N)Cc1ccccc1Cl- InChIKey
YETVIAIVJSRDFR-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2
- Average molar mass
- 190.63 g/mol
- Monoisotopic mass
- 190.0297759
Names & identifiers
- Preferred name
- o-Chlorobenzylmalononitrile
- IUPAC
- 2-[(2-chlorophenyl)methyl]propanedinitrile
- English name
- 2-[(2-chlorophenyl)methyl]propanedinitrile
- Molecular formula
- C10H7ClN2
- Molecular weight
- 190.63
Names & synonyms
o-Chlorobenzylmalononitrile40915-55-7MALONONITRILE, o-CHLOROBENZYL-Malonodinitrile, 2-chlorobenzylDTXSID4075324Propanedinitrile, 2-(2-chlorobenzyl)-Propanedinitrile, ((2-chlorophenyl)methyl)-Propanedinitrile, 2-(2-chlorophenylmethyl)-RefChem:366394DTXCID7039832YETVIAIVJSRDFR-UHFFFAOYSA-No-Chlorobenzylomalonylonitryl
Show more names
2-[(2-chlorophenyl)methyl]propanedinitrilePropanedinitrile, 2-[(2-chlorophenyl)methyl]-
Nitrylu o-chlorobenzylomalonowegoo-Chlorobenzylomalonylonitryl [Polish]Nitrylu o-chlorobenzylomalonowego [Polish]2-chlorobenzyl malononitrileSCHEMBL17978532-(2-Chlorobenzyl)malononitrile #AKOS006279864[(2-Chlorophenyl)methyl]propanedinitrile
Database identifiers
- CAS
40915-55-7- PubChem CID
- 38713
- DTXSID
DTXSID4075324- Nikkaji
- J61.663J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 370.3 · 370.3±27.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- o-Chlorobenzylmalononitrile (40915-55-7)
Chemistry & industry
Applications
General DescriptionColorless liquid, odorless to fruity.
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Related reactions
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Compound notes
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