4-Bromo-2-fluoro-6-nitroanisole

HCID 557159

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 74266-66-3
Standard SMILES: COc1c(F)cc(Br)cc1[N+](=O)[O-]
InChIKey: CVCAYLYLJKBSNV-UHFFFAOYSA-N
Molecular formula: C7H5BrFNO3
Average molar mass: 250.02 g/mol
Monoisotopic mass: 248.94368334

Names & identifiers

Preferred name: 4-Bromo-2-fluoro-6-nitroanisole
IUPAC: 5-bromo-1-fluoro-2-methoxy-3-nitrobenzene
English name: 4-BROMO-2-FLUORO-6-NITROANISOLE
Molecular formula: C7H5BrFNO3
Molecular weight: 250.02

Names & synonyms

4-Bromo-2-fluoro-6-nitroanisole74266-66-3DTXSID10339595RefChem:98075DTXCID50290676620-767-0CVCAYLYLJKBSNV-UHFFFAOYSA-N5-bromo-1-fluoro-2-methoxy-3-nitrobenzeneMFCD000133745-bromo-3-fluoro-2-methoxy-1-nitrobenzeneBenzene, 5-bromo-1-fluoro-2-methoxy-3-nitro-4-Bromo-2-fluoro-6-nitrophenyl methyl ether

Show more names

TIMTEC-BB SBB0059484-Bromo-2-fluoro-6-nitroanisol2-Fluoro-4-bromo-6-nitroanisole4-Bromo-2-fluoro-6-nitro-1-methoxybenzene5-Bromo-1-fluoro-2-methoxy-3-nitro-benzene4-Bromo-2-fluoro-6-nitrophenyl methyl ether, 5-Bromo-1-fluoro-2-methoxy-3-nitrobenzene

SCHEMBL2306549SBB005948AKOS005257814AC-37654-Bromo-2-fluoro-6-nitroanisole, 97%AS-19053ST056181SY060285

Database identifiers

CAS: 74266-66-3
PubChem CID: 557159
DTXSID: DTXSID10339595
EC Number: 620-767-0
Nikkaji: J307.927I

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 199

Physicochemical properties

Melting point: 58 · 58-60 °C(lit.)
Boiling point: 309.1 · 309.1±37.0 °C(Predicted)
Density: 1.716 · 1.716±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: Light yellow to brown Solid
CAS DataBase Reference: 74266 · 74266-66-3(CAS DataBase Reference)
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
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29093090 · 29093090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.