4-Fluoro-2-nitrobenzaldehyde

HCID 76226

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2923-96-8
Standard SMILES: O=Cc1ccc(F)cc1[N+](=O)[O-]
InChIKey: ORCGMGUNVGVHDN-UHFFFAOYSA-N
Molecular formula: C7H4FNO3
Average molar mass: 169.11 g/mol
Monoisotopic mass: 169.01752115

Names & identifiers

Preferred name: 4-Fluoro-2-nitrobenzaldehyde
IUPAC: 4-fluoro-2-nitrobenzaldehyde
English name: 4-Fluoro-2-nitro-benzaldehyde
Molecular formula: C7H4FNO3
Molecular weight: 169.11

Names & synonyms

4-Fluoro-2-nitrobenzaldehydeBenzaldehyde, 4-fluoro-2-nitro-EINECS 220-884-3NSC 96890BRN 1869008DTXSID40183487RefChem:98964DTXCID50105978220-884-3InChI=1/C7H4FNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-42923-96-84-FLUORO-2-NITRO-BENZALDEHYDE

Show more names

4-fluoro-2-nitro-benzaldehyd2’,3’,5’-trimethoxyacetophenone

MFCD016664392-Nitro-4-fluorobenzaldehydeUWH6CPQ66GNSC-96890NSC96890UNII-UWH6CPQ66GWLN: WNR CF FVHSCHEMBL102898

Database identifiers

CAS: 2923-96-8
PubChem CID: 76226
DTXSID: DTXSID40183487
UNII: UWH6CPQ66G
EC Number: 220-884-3
Nikkaji: J148.939I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 192

Physicochemical properties

Melting point: 32 · 32-33 °C
Boiling point: 294.2 · 294.2±25.0 °C(Predicted)
Density: 1.443 · 1.443±0.06 g/cm3(Predicted)
RTECS: 6250000 · CU6250000
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
color: Yellow
InChI: InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
InChIKey: ORCGMGUNVGVHDN-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(F)C=C1[N+]([O-])=O
EWG's Food Scores: 1 · 1
FDA UNII: 6 CPQ66G · UWH6CPQ66G
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2913000090 · 2913000090