3-Fluoro-4-nitrobenzoyl chloride

HCID 2774656

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 157665-51-5
Standard SMILES: O=C(Cl)c1ccc([N+](=O)[O-])c(F)c1
InChIKey: DPAMLESDGWVDBW-UHFFFAOYSA-N
Molecular formula: C7H3ClFNO3
Average molar mass: 203.55 g/mol
Monoisotopic mass: 202.97854886

Names & identifiers

Preferred name: 3-Fluoro-4-nitrobenzoyl chloride
IUPAC: 3-fluoro-4-nitrobenzoyl chloride
English name: 3-FLUORO-4-NITROBENZOYL CHLORIDE
Molecular formula: C7H3ClFNO3
Molecular weight: 203.55

Names & synonyms

3-fluoro-4-nitrobenzoyl chloride157665-51-5MFCD03094235Benzoyl chloride, 3-fluoro-4-nitro-4-(Chlorocarbonyl)-2-fluoronitrobenzene, 4-(Chloroformyl)-2-fluoronitrobenzene3-Fluoro-4-nitro-benzoyl chlorideSCHEMBL2754223-fluoro-4-nitrobenzoylchlorideSCHEMBL30149157DTXSID30379155DPAMLESDGWVDBW-UHFFFAOYSA-N3-fluoro,4-nitro benzoyl chloride

Show more names

AC8149SBB093184AKOS0254028673-Fluoro-4-nitrobenzoyl chloride 95%PS-10701SY248327DB-348199F038119

Database identifiers

CAS: 157665-51-5
PubChem CID: 2774656
DTXSID: DTXSID30379155
Nikkaji: J2.826.557C

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 230

Physicochemical properties

Melting point: 23 · 23-25
Boiling point: 291.8 · 291.8±20.0 °C(Predicted)
Density: 1.543 · 1.543±0.06 g/cm3(Predicted)
form: oil
color: Yellow
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Hazard Codes: C
RIDADR: 3265 · UN3265
Hazard Note: Corrosive
HazardClass: 8 · 8
HS Code: 2916399090 · 2916399090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

ridadr: UN3265
hs_code: 2916399090
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
hazard_class: 8
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501