Malononitrile, (m-chlorophenyl)-
Basic information
- CAS
99726-59-7- Standard SMILES
N#CC(C#N)c1cccc(Cl)c1- InChIKey
JJHRSCACPOITCE-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2
- Average molar mass
- 176.6 g/mol
- Monoisotopic mass
- 176.0141259
Names & identifiers
- Preferred name
- Malononitrile, (m-chlorophenyl)-
- IUPAC
- 2-(3-chlorophenyl)propanedinitrile
- English name
- 2-(m-Chlorophenyl)malononitrile
- Molecular formula
- C9H5ClN2
- Molecular weight
- 176.6
Names & synonyms
2-(m-Chlorophenyl)malononitrile99726-59-7m-Chlorophenyl malononitrileMALONONITRILE, (m-CHLOROPHENYL)-BRN 5331334DTXSID40244224RefChem:351882DTXCID40166715m-Chlorophenylmalononitrile2-(3-chlorophenyl)propanedinitrileSCHEMBL8658369(3-Chlorophenyl)propanedinitrile
Show more names
(m-chlorophenyl)malonitrilePropanedinitrile, 2-(3-chlorophenyl)-
m-Chlorophenyl malononitrile, 2-(m-Chlorophenyl)malononitrile, BRN 5331334, CID57536, MALONONITRILE, (m-CHLOROPHENYL)-, LS-88892, 99726-59-7
Database identifiers
- CAS
99726-59-7- PubChem CID
- 57536
- DTXSID
DTXSID40244224- Nikkaji
- J147.620C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 136 °C · 136 °C
- Boiling point
- 290.7 · 290.7±25.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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