CAS 54008-77-4 2-Bromo-1-benzofuran (HCID 2776264)

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Basic information

CAS: 54008-77-4
Standard SMILES: Brc1cc2ccccc2o1
InChIKey: RNEOFIVNTNLSEH-UHFFFAOYSA-N
Molecular formula: C8H5BrO
Average molar mass: 197.03 g/mol
Monoisotopic mass: 195.95237688

Names & identifiers

Preferred name: 2-Bromo-1-benzofuran
IUPAC: 2-bromo-1-benzofuran
English name: 2-BROMO-1-BENZOFURAN
Molecular formula: C8H5BrO
Molecular weight: 197.03

Names & synonyms

2-bromo-1-benzofuranRefChem:466047830-348-62-bromobenzofuran54008-77-4MFCD026819872-Bromobenzo[b]furan2-BROMO-1-BENZOFURANECHEMBL3358222Benzofuran, 2-bromo-Benzofuran,2-bromo-2-Bromobenzo[b]furan 90%

Show more names

2-bromobenzofuran-D52-Bromo-1-benzofuran:2-bromobenzofuran

SCHEMBL594981SCHEMBL9399613SCHEMBL315142782-Bromo-1-benzofuran, 90+%DTXSID50379935RNEOFIVNTNLSEH-UHFFFAOYSA-NBDBM50037845SBB092093

Database identifiers

CAS: 54008-77-4
PubChem CID: 2776264
DTXSID: DTXSID50379935
ChEMBL: CHEMBL3358222
EC Number: 830-348-6
Nikkaji: J2.767.925K

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 247 · 247-247.5 °C
Boiling point: 234 ℃ · 234℃
Density: 1.608 · 1.608
Flash point: 95 ℃ · 95℃
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C8H5BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKey: RNEOFIVNTNLSEH-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2C=C1Br
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2932990090 · 2932990090

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.