Benzofuran, 5-bromo-

HCID 90015

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Basic information

CAS: 23145-07-5
Standard SMILES: Brc1ccc2occc2c1
InChIKey: AYOVPQORFBWFNO-UHFFFAOYSA-N
Molecular formula: C8H5BrO
Average molar mass: 197.03 g/mol
Monoisotopic mass: 195.95237688

Names & identifiers

Preferred name: Benzofuran, 5-bromo-
IUPAC: 5-bromo-1-benzofuran
English name: 5-Bromo-1-benzofuran
Molecular formula: C8H5BrO
Molecular weight: 197.03

Names & synonyms

23145-07-5Benzofuran, 5-bromo-DTXSID6073441RefChem:565227DTXCID80368175-Bromobenzofuran5-Bromo-1-benzofuran5-bromobenzo[b]furan5-bromo-benzofuranMFCD034073175-Bromobenzo [ b ] furanBUTTPARK 95\50-66

Show more names

5-Brombenzofuran5-Bromobenzofuran ,97%5-Bromobenzo[beta]furan, 98 %

BC0047065-bromobenzo[beta]furan5-Bromo-1-benzofuran #5-Bromobenzofuran, 97%SCHEMBL6733SCHEMBL146387SCHEMBL207026SCHEMBL28792265

Database identifiers

CAS: 23145-07-5
PubChem CID: 90015
DTXSID: DTXSID6073441
EC Number: 676-002-6
Nikkaji: J102.252K

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: 8 °C · 8°C(lit.)
Boiling point: 226 °C · 226°C(lit.)
Density: 1.573 g/mL · 1.573 g/mL at 25 °C
refractive index: 20 · n20/D1.605
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Colourless to light yellow
InChI: InChI=1S/C8H5BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChIKey: AYOVPQORFBWFNO-UHFFFAOYSA-N
SMILES: O1C2=CC=C(Br)C=C2C=C1
CAS DataBase Reference: 23145 · 23145-07-5(CAS DataBase Reference)
EPA Substance Registry System: 5 · Benzofuran, 5-bromo- (23145-07-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335-H351
Precautionary statements: 201 · P201-P301+P312+P330-P302+P352-P305+P351+P338-P308+P313
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29329990 · 29329990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralCarc · Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93.3%)

Safety data

wgk: 3
hs_code: 29329990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07,GHS08
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335-H351
Hazard Classifications: Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P201-P301+P312+P330-P302+P352-P305+P351+P338-P308+P313

Chemistry & industry

Applications

Uses5-Bromobenzofuran is used in the synthesis of 1-(7-benzofuranyl)-4-methylpiperazine; a compound shown to bind strongly and with high selectivity to the serotonin receptor 5-HT2A in the presence of the receptor 5-HT7 in vitro.