2-Bromo-4-fluoro-6-nitroaniline

HCID 292004CAS 10472-88-5

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1c(Br)cc(F)cc1[N+](=O)[O-]
InChIKey: HCYDUPDSEDHSQB-UHFFFAOYSA-N
Molecular formula: C6H4BrFN2O2
Average molar mass: 235.01 g/mol
Monoisotopic mass: 233.94401769

Names & identifiers

Preferred name: 2-Bromo-4-fluoro-6-nitroaniline
IUPAC: 2-bromo-4-fluoro-6-nitroaniline
English name: 2-Bromo-4-fluoro-6-nitroaniline
Molecular formula: C6H4BrFN2O2
Molecular weight: 235.01

Names & synonyms

2-bromo-4-fluoro-6-nitroanilineDTXSID80303268RefChem:466541DTXCID60254401641-202-410472-88-52-Bromo-4-fluoro-6-nitrobenzenamineMFCD07779528Benzenamine, 2-bromo-4-fluoro-6-nitro-2-bromo-4-fluoro-6-nitrophenylamine2-Amino-3-bromo-5-fluoronitrobenzeneNSC157607

Show more names

SKL3662-Bromo-4-fluoro-6-nitroaniline, 97%2-Bromo-4-fluoro-6-nitroaniline,tech.90%Benzenebutanoicacid,7-fluoro-α,γ-dioxo-,ethylester

2-bromo-4-fluoro-6-nitroaniline98%2-bromo-4-fluoro-6-nitroaniline 98%SCHEMBL6311644-fluoro-2-bromo-6-nitroaniline4-fluoro-2-nitro-6-bromoaniline6-Bromo-4-fluoro-2-nitroanilineHCYDUPDSEDHSQB-UHFFFAOYSA-NSBB051790

Database identifiers

CAS: 10472-88-5
PubChem CID: 292004
DTXSID: DTXSID80303268
EC Number: 641-202-4

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 187

Physicochemical properties

Melting point: 70 · 70-72°C
Boiling point: 313.9 · 313.9±37.0 °C(Predicted)
Density: 1.896 · 1.896±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Powder
pka: -2.32 · -2.32±0.25(Predicted)
color: Orange
InChI: InChI=1S/C6H4BrFN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2
InChIKey: HCYDUPDSEDHSQB-UHFFFAOYSA-N
SMILES: C1(N)=C([N+]([O-])=O)C=C(F)C=C1Br
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: T
HazardClass: 6.1 · 6.1
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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