2,4-Dinitrobenzoyl chloride

HCID 88401

Notes Reactions

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Basic information

CAS: 20195-22-6
Standard SMILES: O=C(Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey: HETVWNJEAWTHHK-UHFFFAOYSA-N
Molecular formula: C7H3ClN2O5
Average molar mass: 230.56 g/mol
Monoisotopic mass: 229.97304888

Names & identifiers

Preferred name: 2,4-Dinitrobenzoyl chloride
IUPAC: 2,4-dinitrobenzoyl chloride
English name: 2,4-dinitrobenzoyl chloride
Molecular formula: C7H3ClN2O5
Molecular weight: 230.56

Names & synonyms

2,4-Dinitrobenzoyl chloride20195-22-6EINECS 243-578-1DTXSID40174032RefChem:82574DTXCID9096523243-578-1Benzoyl chloride, 2,4-dinitro-ZJ9Q2PGX6RSCHEMBL3126462MFCD01318511NS00026545

Show more names

2,4-Dinitrobenzoic acid chloride

Database identifiers

CAS: 20195-22-6
PubChem CID: 88401
DTXSID: DTXSID40174032
UNII: ZJ9Q2PGX6R
EC Number: 243-578-1
Nikkaji: J280.474C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 109 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 297

Physicochemical properties

Boiling point: 352.1 · 352.1±22.0 °C(Predicted)
Density: 1.652 · 1.652±0.06 g/cm3(Predicted)
FDA UNII: 9 Q2PGX6R · ZJ9Q2PGX6R
Symbol(GHS): 5 · GHS05,GHS08
Signal word: Danger
Hazard statements: 314 · H314-H341
Precautionary statements: 280 · P280-P301+P330+P331-P305+P351+P338
HS Code: 2921490090 · 2921490090

Safety & regulation

Safety data

hs_code: 2921490090
Signal word: Danger
Symbol(GHS): GHS05,GHS08
Hazard statements: H314-H341
Precautionary statements: P280-P301+P330+P331-P305+P351+P338

Chemistry & industry

Applications

Uses2,4-Dinitrobenzoyl Chloride is a reagent for the synthesis of new benzoyl hydrazones, which exhibits antioxidant, anticholinesterase and anticancer activities.