CAS 917562-25-5 4-Bromo-3-fluorothioanisole (HCID 25307222)

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Basic information

CAS: 917562-25-5
Standard SMILES: CSc1ccc(Br)c(F)c1
InChIKey: SUZAIHLOLUYRJG-UHFFFAOYSA-N
Molecular formula: C7H6BrFS
Average molar mass: 221.09 g/mol
Monoisotopic mass: 219.93576

Names & identifiers

Preferred name: 4-Bromo-3-fluorothioanisole
IUPAC: 1-bromo-2-fluoro-4-methylsulfanylbenzene
English name: (4-Bromo-3-fluorophenyl)(methyl)sulfane
Molecular formula: C7H6BrFS
Molecular weight: 221.09

Names & synonyms

4-BROMO-3-FLUOROTHIOANISOLERefChem:519959689-864-3917562-25-5(4-Bromo-3-fluorophenyl)(methyl)sulfane1-bromo-2-fluoro-4-methylsulfanylbenzene4-Bromo-3-fluoro-1-(methylthio)benzene1-bromo-2-fluoro-4-(methylsulfanyl)benzeneMFCD090272831-Bromo-2-fluoro-4-(methylthio)benzeneSCHEMBL3877401-Bromo-2-fluoro-4-methylsulfanyl-benzene

Show more names

4-Bromo-3-fluorothioanisole96%Benzene, 1-bromo-2-fluoro-4-(methylthio)-1-Bromo-2-fluoro-4-(methylthio)benzene, 1-Bromo-2-fluoro-4-(methylsulphanyl)benzene, 4-Bromo-3-fluorophenyl methyl sulphide

SCHEMBL29504578DTXSID60649575SUZAIHLOLUYRJG-UHFFFAOYSA-NSBB0960861-bromo-2-fluoro-4-methylthiobenzeneAKOS015835270AS-44324DB-097887

Database identifiers

CAS: 917562-25-5
PubChem CID: 25307222
DTXSID: DTXSID60649575
EC Number: 689-864-3

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

storage temp.: 0 · Store at 0-8 °C
form: liquid
color: Clear, almost colourless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
HS Code: 2909309090 · 2909309090

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2909309090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501