2,4-Dichlorobenzoyl Cyanide

HCID 9834232

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Basic information

CAS: 35022-43-6
Standard SMILES: N#CC(=O)c1ccc(Cl)cc1Cl
InChIKey: MJJCNUBDKYFMHM-UHFFFAOYSA-N
Molecular formula: C8H3Cl2NO
Average molar mass: 200.02 g/mol
Monoisotopic mass: 198.9591691

Names & identifiers

Preferred name: 2,4-Dichlorobenzoyl Cyanide
IUPAC: 2,4-dichlorobenzoyl cyanide
English name: 2,4-Dichlorobenzoyl Cyanide
Molecular formula: C8H3Cl2NO
Molecular weight: 200.02

Names & synonyms

2,4-Dichlorobenzoyl Cyanide35022-43-6DTXSID20431458RefChem:246336DTXCID703822892,4-Dichlorophenylglyoxylonitrile2,4-DichlorobenzoylCyanide2,4 Dichlorobenzoyl Nitrile4HL2996RYLSCHEMBL5666673MFCD25962596AKOS027323730

Show more names

2,4-DCBNLamotrigine Impurity 8Lamotrigine Impurity 2Lamotrigine Impurity 232,4-DICHLOROBENZOYLNITRILE2,4-Dichloro-α-oxo-benzeneacetonitrileBenzeneacetonitrile, 2,4-dichloro-α-oxo-

2,4-Dichlorobenzene-1-carbonyl cyanide2,4-Dichloro-alpha-oxobenzeneacetonitrileDB-302380Benzeneacetonitrile, 2,4-dichloro-alpha-oxo-EN300-687017G25847Benzeneacetonitrile, 2,4-dichloro-a-oxo-; 2,4-Dichlorobenzoyl cyanide; 2,4-Dichlorophenylglyoxylonitrile

Database identifiers

CAS: 35022-43-6
PubChem CID: 9834232
DTXSID: DTXSID20431458
UNII: 4HL2996RYL

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 40.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 232

Physicochemical properties

Boiling point: 304.8 · 304.8±32.0 °C(Predicted)
Density: 1.446 · 1.446±0.06 g/cm3(Predicted)
solubility: soluble in Dichloromethane
form: Solid
color: Grey

Safety & regulation

Hazard information

Regulatory InformationChemical: Benzeneacetonitrile, 2,4-dichloro-.alpha.-oxo-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Regulatory information

Regulatory InformationChemical: Benzeneacetonitrile, 2,4-dichloro-.alpha.-oxo-

Chemistry & industry

Applications

Uses2,4-Dichlorobenzoyl Cyanide can be used in the preparation of benzoylcyclohexanedione pesticides. An impurity in the synthesis of Lamotrigine.