CAS 59214-70-9 3-Bromo-1-benzofuran (HCID 640589)

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Basic information

CAS: 59214-70-9
Standard SMILES: Brc1coc2ccccc12
InChIKey: ICJNAOJPUTYWNV-UHFFFAOYSA-N
Molecular formula: C8H5BrO
Average molar mass: 197.03 g/mol
Monoisotopic mass: 195.95237688

Names & identifiers

Preferred name: 3-Bromo-1-benzofuran
IUPAC: 3-bromo-1-benzofuran
English name: 3-Bromo-1-benzofuran
Molecular formula: C8H5BrO
Molecular weight: 197.03

Names & synonyms

3-bromo-1-benzofuran59214-70-9benzofuran, 3-bromo-DTXSID30348765RefChem:498198DTXCID60299837809-863-5InChI=1/C8H5BrO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-53-bromobenzofuran3-Bromobenzo[b]furanC8H5BrOMFCD01029425

Show more names

1-bromobenzofuranbromo-3 benzofuranne3-Bromo-1-benzofurane3-Bromobenzo[b]furan 97%3-Bromo-1-Benzofuran,>95%3-Bromo-1-benzofuran ,97%

3-bromobenzofurane3-bromo-benzo[b]furanSCHEMBL6008SCHEMBL546688SCHEMBL29874833ICJNAOJPUTYWNV-UHFFFAOYSA-N3-bromo-1-benzofuran, AldrichCPRSBB054554

Database identifiers

CAS: 59214-70-9
PubChem CID: 640589
DTXSID: DTXSID30348765
EC Number: 809-863-5
Nikkaji: J2.735.003H

Properties

Computed structural properties

XLogP: 3
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: 35 °C · 35 °C
Boiling point: 110 · 110
Density: 1.608 · 1.608±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: solid
color: Yellow
InChI: InChI=1S/C8H5BrO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChIKey: ICJNAOJPUTYWNV-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2C(Br)=C1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36-36/37/38-22
Safety Statements: 26 · 26-36/37/39-22

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 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 (100%)

Safety data

wgk: WGK 3
ridadr: UN2811
hs_code: 29321900
risk_code: 36-36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_note: Harmful
safety_code: 26-36/37/39-22
hazard_class: IRRITANT
Storage Class: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
Precautionary statements: P261-P305+P351+P338