1-Fluoro-2-nitro-4-azidobenzene

HCID 93121

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Basic information

CAS: 28166-06-5
Standard SMILES: [N-]=[N+]=Nc1ccc(F)c([N+](=O)[O-])c1
InChIKey: VCTBSHQJICJJFV-UHFFFAOYSA-N
Molecular formula: C6H3FN4O2
Average molar mass: 182.11 g/mol
Monoisotopic mass: 182.02400356

Overview

used as an affinity label for insulin to give mono-azide-nitrophenyl-insulin derivatives

Names & identifiers

Preferred name: 1-Fluoro-2-nitro-4-azidobenzene
IUPAC: 4-azido-1-fluoro-2-nitrobenzene
English name: 4-Fluoro-3-nitrophenyl azide
Molecular formula: C6H3FN4O2
Molecular weight: 182.11

Names & synonyms

4-Fluoro-3-nitrophenyl azide28166-06-54-Azido-1-fluoro-2-nitrobenzeneBenzene, 1-azido-4-fluoro-3-nitro-P4GC2WH2NPNSC-266503DTXSID909509091-fluoro-2-nitro-4-azidobenzeneFNAB cpdRefChem:518365DTXCID701379047248-878-6

Show more names

Nsc2665033-Nitro-4-fluorophenylazide2-Nitro-4-azidofluorobenzene4-Fluoro-3-nitrophenylazide97%1-azido-4-fluoro-3-nitro-benzen

FNPABenzene, 4-azido-1-fluoro-2-nitro-MFCD000362154-azido-1-fluoro-2-nitro-benzeneCCRIS 41081-Azido-4-fluoro-3-nitrobenzeneEINECS 248-878-6NSC 266503

Database identifiers

CAS: 28166-06-5
PubChem CID: 93121
DTXSID: DTXSID90950909
UNII: P4GC2WH2NP
EC Number: 248-878-6
Nikkaji: J149.260H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 60.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 54 · 54-56
Flash point: 113 °C · 113 °C
storage temp.: 2 · 2-8°C
form: powder
color: Orange
FDA UNII: 4 GC2WH2NP · P4GC2WH2NP
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 228 · H228-H301+H311+H331
Precautionary statements: 271 · P271-P260-P280
Hazard Codes: Xi,T,F
Risk Statements: 5 · 5-11-23/24/25
Safety Statements: 36 · 36/37/39-45
RIDADR: 1325 · 1325
RTECS: 6620000 · CY6620000
Hazard Note: Irritant
HazardClass: 4.1 · 4.1
PackingGroup: III
HS Code: 2929900090 · 2929900090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (97.5%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.