CAS 261723-32-4 3-Bromo-2-fluorobenzyl Alcohol (HCID 26985646)

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Basic information

CAS: 261723-32-4
Standard SMILES: OCc1cccc(Br)c1F
InChIKey: LIZLYZVAYZQVPG-UHFFFAOYSA-N
Molecular formula: C7H6BrFO
Average molar mass: 205.02 g/mol
Monoisotopic mass: 203.95860513

Names & identifiers

Preferred name: 3-Bromo-2-fluorobenzyl Alcohol
IUPAC: (3-bromo-2-fluorophenyl)methanol
English name: (3-bromo-2-fluorophenyl)methanol
Molecular formula: C7H6BrFO
Molecular weight: 205.02

Names & synonyms

3-Bromo-2-fluorobenzyl alcoholRefChem:498456834-032-9(3-bromo-2-fluorophenyl)methanol261723-32-41-Bromo-2-fluoro-3-(hydroxymethyl)benzeneBenzenemethanol, 3-bromo-2-fluoro-(3-Bromo-2-fluoro-phenyl)methanolMFCD09842441(3-Bromo-2-fluorophenyl);methanolSCHEMBL332346DTXSID50650458

Show more names

2-fluoro-3-bromobenzyl alcohol3-Bromo-2-fluoro-benzyl alcohal3-BroMo-2-Fluoro-BenzeneMethanol3-Bromo-2-fluorobenzyl alcohol 98%

CL9091CS-W021084KC-0757SB36261SY030254EN300-1896813CRYSTALVIOLETLACTONE(3-Bromo-2-fluoro-phenyl)-methanol

Database identifiers

CAS: 261723-32-4
PubChem CID: 26985646
DTXSID: DTXSID50650458
EC Number: 834-032-9

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 36 to · 36.0 to 40.0 °C
Boiling point: 263.2 · 263.2±25.0 °C(Predicted)
Density: 1.658 · 1.658±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.8 · 13.80±0.10(Predicted)
form: solid
color: White
InChI: InChI=1S/C7H6BrFO/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
InChIKey: LIZLYZVAYZQVPG-UHFFFAOYSA-N
SMILES: C1(CO)=CC=CC(Br)=C1F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HazardClass: IRRITANT
HS Code: 2906290090 · 2906290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2906290090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313