1-Fluoro-2-iodo-4-nitrobenzene

HCID 10539733CAS 177363-10-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc(F)c(I)c1
InChIKey: XSFIPDPCQOJJFR-UHFFFAOYSA-N
Molecular formula: C6H3FINO2
Average molar mass: 267 g/mol
Monoisotopic mass: 266.91925456

Names & identifiers

Preferred name: 1-Fluoro-2-iodo-4-nitrobenzene
IUPAC: 1-fluoro-2-iodo-4-nitrobenzene
English name: 1-Fluoro-2-iodo-4-nitrobenzene
Molecular formula: C6H3FINO2
Molecular weight: 267

Names & synonyms

1-Fluoro-2-iodo-4-nitrobenzeneRefChem:432770864-226-9177363-10-94-Fluoro-3-iodonitrobenzeneBenzene, 1-fluoro-2-iodo-4-nitro-MFCD084610022-iodo 4-nitro fluorobenzeneSCHEMBL1024831CHA36310AKOS009476532DS-5542

Show more names

SY041733CS-0041294EN300-952611-fluoro-2-iodo-4-nitro-benzeneAMY28171A904947DTXSID20441512DB-184844

Database identifiers

CAS: 177363-10-9
PubChem CID: 10539733
DTXSID: DTXSID20441512
EC Number: 864-226-9
Nikkaji: J743.725K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 161

Physicochemical properties

Boiling point: 287 · 287.0±20.0 °C(Predicted)
Density: 2.093 · 2.093±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
form: crystalline powder
color: Light peach to pink
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2904990090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313