CAS 2357-52-0 4-Bromo-2-fluoroanisole (HCID 75378)

Names & identifiers

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

Names & synonyms

4-Bromo-2-fluoroanisole2357-52-0DTXSID80178195EINECS 219-096-2NSC 10329RefChem:519695DTXCID10100686219-096-24-Bromo-2-fluoro-1-methoxybenzene2-fluoro-4-bromoanisoleBenzene, 4-bromo-2-fluoro-1-methoxy-1-Bromo-3-fluoro-4-methoxybenzene

Show more names

4-Br-2-F-anisole4-Bromo-2-fluoroanis4-Cyano-fluoro phenolFluoro-4-bromoanisole2-Fluoro-4-Bromo Anisol4-Bromo-2-fluoroanisole98%4-Bromo-2-fluoroanisole>

MFCD000117104-BROMO-2-FLUORO-1-METHOXY-BENZENE2-Fluor-4-bromanisolo-fluoro-p-bromoanisole4-bromo-2-fluoro-anisoleAnisole, 4-bromo-2-fluoro-SCHEMBL2820594-Bromo-2-fluoroanisole, 97%

Database identifiers

CAS: 2357-52-0
PubChem CID: 75378
DTXSID: DTXSID80178195
UNII: F7J83Z8NHR
EC Number: 219-096-2
Nikkaji: J213.212E

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

Melting point: 16 °C · 16 °C
Boiling point: 84 °C/7 · 84 °C/7 mmHg (lit.)
Density: 1.59 g/mL · 1.59 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.545(lit.)
Flash point: 209 °F · 209 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 1.59 · 1.590
Water Solubility: insoluble
BRN: 3240714 · 3240714
InChI: InChI=1S/C7H6BrFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey: DWNXGZBXFDNKOR-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(Br)C=C1F
CAS DataBase Reference: 2357 · 2357-52-0(CAS DataBase Reference)
FDA UNII: 7 J83Z8NHR · F7J83Z8NHR
NIST Chemistry Reference: 4 · 4-Bromo-2-fluoroanisole(2357-52-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29093090 · 29093090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29093090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-24/25
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses4-Bromo-2-fluoroanisole has been used in the synthesis of:1,4-bis[(3′-fluoro-4′-n alkoxyphenyl)ethynyl]benzenes with n=1-127-fluoro-6-methoxy-1-methyl-2-naphthaldehyde5,7-difluoro-6-methoxy-1-methyl-2-naphthaldehydeliquid crystals with terminal difluoromethoxy group and backbone of phenylbicyclohexane

General DescriptionThe IR and FT-IR spectra of 4-bromo-2-fluoroanisole have been investigated.