(2E)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoic acid
Basic information
- CAS
58110-40-0- Standard SMILES
O=C(O)/C=C/c1ccc(-c2ccc(Br)cc2)o1- InChIKey
UWJPYZVCZQFJDI-SOFGYWHQSA-N- Molecular formula
- C13H9BrO3
- Average molar mass
- 293.11 g/mol
- Monoisotopic mass
- 291.97351
Names & identifiers
- Preferred name
- (2E)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoic acid
- IUPAC
- (E)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoic acid
- English name
- 2-Propenoic acid, 3-[5-(4-bromophenyl)-2-furanyl]-
- Molecular formula
- C13H9BrO3
- Molecular weight
- 293.11
Names & synonyms
62806-35-3(2E)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoic acid(E)-3-(5-(4-bromophenyl)furan-2-yl)acrylic acidMFCD00445746(2E)-3-[5-(4-bromophenyl)-2-furyl]acrylic acid(E)-3-[5-(4-bromophenyl)-2-furyl]-2-propenoic acid3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoic acid58110-40-03-[5-(4-Bromo-phenyl)-furan-2-yl]-acrylic acidHMS1476L02STK390174AKOS000109208
Show more names
2-Propenoic acid, 3-[5-(4-bromophenyl)-2-furanyl]-
IDI1_020266NCGC00172800-02VS-03171ST45185231EN300-14082EN300-832976G55941AB01331820-02
Database identifiers
- CAS
58110-40-0、62806-35-3- PubChem CID
- 744897
- EC Number
- 148-737-8
- Nikkaji
- J2.919.959K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 198 · 198-199 °C
- Boiling point
- 436.8 · 436.8±40.0 °C(Predicted)
- Density
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- pka
- 4.28 · 4.28±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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