1-Bromo-4,5-difluoro-2-methoxybenzene

HCID 2736262

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 202865-58-5
Standard SMILES: COc1cc(F)c(F)cc1Br
InChIKey: DKARISQFDBAJEZ-UHFFFAOYSA-N
Molecular formula: C7H5BrF2O
Average molar mass: 223.01 g/mol
Monoisotopic mass: 221.94918332

Names & identifiers

Preferred name: 1-Bromo-4,5-difluoro-2-methoxybenzene
IUPAC: 1-bromo-4,5-difluoro-2-methoxybenzene
English name: 2-Bromo-4,5-difluoroanisole
Molecular formula: C7H5BrF2O
Molecular weight: 223.01

Names & synonyms

202865-58-51-bromo-4,5-difluoro-2-methoxybenzeneRefChem:430521606-490-82-Bromo-4,5-difluoroanisoleBenzene, 1-bromo-4,5-difluoro-2-methoxy-MFCD000707534-bromo-1,2-difluoro-5-methoxybenzene2-bromo4,5-difluoro-anisole2-bromo-4,5-difluoro-anisoleSCHEMBL1359709SCHEMBL3752198

Show more names

CAS:202865-58-52-Bromo-4,5-difluoroanisole98%2-Bromo-4,5-difluoroanisole ISO 9001：2015 REACH1-Bromo-4,5-difluoro-2-methoxybenzene, 2-Bromo-4,5-difluorophenyl methyl ether

SCHEMBL30536258DTXSID70371239DKARISQFDBAJEZ-UHFFFAOYSA-NSBB096415AKOS005257837CS-W010460FB70091FS-3938

Database identifiers

CAS: 202865-58-5
PubChem CID: 2736262
DTXSID: DTXSID70371239
EC Number: 606-490-8

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Physicochemical properties

Boiling point: 200.6 · 200.6±35.0 °C(Predicted)
Density: 1.615 · 1.615±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: low melting solid
color: Colourless
Water Solubility: Not miscible or difficult to mix with water.
InChI: InChI=1S/C7H5BrF2O/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,1H3
InChIKey: DKARISQFDBAJEZ-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=C(F)C=C1OC
CAS DataBase Reference: 202865 · 202865-58-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
Hazard Codes: Xi,T
Risk Statements: 20 · 20/21/22-36/37/38-25
Safety Statements: 26 · 26-36/37/39-45
HazardClass: IRRITANT
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.