2-Bromo-5-fluoroanisole

HCID 7018043

Notes Reactions

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Basic information

CAS: 450-88-4
Standard SMILES: COc1cc(F)ccc1Br
InChIKey: KGYXKRGMSUHYCY-UHFFFAOYSA-N
Molecular formula: C7H6BrFO
Average molar mass: 205.02 g/mol
Monoisotopic mass: 203.95860513

Names & identifiers

Preferred name: 2-Bromo-5-fluoroanisole
IUPAC: 1-bromo-4-fluoro-2-methoxybenzene
English name: 2-Bromo-5-fluoroanisole
Molecular formula: C7H6BrFO
Molecular weight: 205.02

Names & synonyms

2-Bromo-5-fluoroanisole450-88-4DTXSID00426943RefChem:257345DTXCID30377777626-484-91-bromo-4-fluoro-2-methoxybenzeneBenzene, 1-bromo-4-fluoro-2-methoxy-MFCD049737521-bromo-4-fluoro-2-methoxy-benzenebromo-4-fluoro-2-methoxybenzene2-Bromo-5-fluoroanisole, 99%

Show more names

BUTTPARK 87\07-622-Bromo-5-fluoroanisole >2-Bromo-5-fluoroanisole98+%2-bromo-5-fluorobenzane ether2-methoxy-4-fluorobromobenzene2-BroMo-5-fluoroanisole, 95.0%(GC)2-Bromo-5-fluoroanisole ISO 9001：2015 REACH

2-Methoxy4-fluoro-1-bromobenzeneAKOS005257891CS-W007814AC-9663EN300-799601-Bromo-4-fluoro-2-(methoxy-d3)benzene2070932-23-7AM61549

Database identifiers

CAS: 450-88-4
PubChem CID: 7018043
DTXSID: DTXSID00426943
EC Number: 626-484-9
Nikkaji: J1.905.138B

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Boiling point: 143 · 143-145 °C
Density: 1.5983 · 1.5983
refractive index: 1.542 · 1.542
Flash point: 90 °C · 90 °C
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
color: Colorless to Light yellow
InChIKey: KGYXKRGMSUHYCY-UHFFFAOYSA-N
CAS DataBase Reference: 450 · 450-88-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H302-H319-H335
Precautionary statements: 305 · P305+P351+P338-P261-P280a-P304+P340-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-36-22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
Hazard Note: Harmful
HS Code: 29093090 · 29093090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (85.4%)

Safety data

wgk: 3
hs_code: 29093090
risk_code: 36/37/38-36-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-36/37/39
Hazard statements: H227-H315-H302-H319-H335
Precautionary statements: P305+P351+P338-P261-P280a-P304+P340-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501

Chemistry & industry

Applications · 1 item

Uses2-Bromo-5-fluoroanisole is a halogenated anisole compound, the chemical reactivity of which is mainly concentrated on the bromine atom on its benzene ring. It can be used as an organic synthesis intermediate and a synthetic raw material for drug molecules. For example, literature reports that the substance can be used for the preparation of the drug molecule anacetrapib.