3-Bromo-2-furaldehyde

HCID 3367271CAS 14757-78-9

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Basic information

Standard SMILES: O=Cc1occc1Br
InChIKey: KSAVZSUPQGDMRC-UHFFFAOYSA-N
Molecular formula: C5H3BrO2
Average molar mass: 174.98 g/mol
Monoisotopic mass: 173.93164144

Names & identifiers

Preferred name: 3-Bromo-2-furaldehyde
IUPAC: 3-bromofuran-2-carbaldehyde
English name: 3-BROMO-2-FORMYLFURAN
Molecular formula: C5H3BrO2
Molecular weight: 174.98

Names & synonyms

3-BROMO-2-FURALDEHYDERefChem:498464683-389-53-bromofuran-2-carbaldehyde14757-78-93-BROMO-2-FORMYLFURAN3-Bromo-furan-2-carbaldehyde3-Bromofuran-2-carboxaldehydeMFCD073682242-Furancarboxaldehyde, 3-bromo-bromofurfural3-Bromo-2-furaldehyde 98%

Show more names

3-bromofurfural3-Bromo-2-furaldehyde98%3-Bromo-2-furancarbaldehyde3-bromo-2-Furancarboxaldehyde

SCHEMBL843402DTXSID20391861KSAVZSUPQGDMRC-UHFFFAOYSA-N3-bromo-2-formylfuran, AldrichCPRPAA75778GEO-04281SBB067497AKOS010079810

Database identifiers

CAS: 14757-78-9
PubChem CID: 3367271
DTXSID: DTXSID20391861
EC Number: 683-389-5
Nikkaji: J3.029.203K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 94.4

Physicochemical properties

Boiling point: 219.6 · 219.6±20.0℃ (760 Torr)
Density: 1.748 · 1.748±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 86.6 · 86.6±21.8℃
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: powder to lump to clear liquid
color: White or Colorless to Yellow
InChI: InChI=1S/C5H3BrO2/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKey: KSAVZSUPQGDMRC-UHFFFAOYSA-N
SMILES: O1C=CC(Br)=C1C=O
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HS Code: 2932190090 · 2932190090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.