3-(3-Bromo-phenylcarbamoyl)-acrylic acid
Basic information
- CAS
59652-96-9- Standard SMILES
O=C(O)/C=C/C(=O)Nc1cccc(Br)c1- InChIKey
ACABGZCLDYKQMC-SNAWJCMRSA-N- Molecular formula
- C10H8BrNO3
- Average molar mass
- 270.08 g/mol
- Monoisotopic mass
- 268.96876
Names & identifiers
- Preferred name
- 3-(3-Bromo-phenylcarbamoyl)-acrylic acid
- IUPAC
- (E)-4-(3-bromoanilino)-4-oxobut-2-enoic acid
- English name
- N-(3-BroMophenyl)MaleaMic acid, 97%
- Molecular formula
- C10H8BrNO3
- Molecular weight
- 270.08
Names & synonyms
3-(3-Bromo-phenylcarbamoyl)-acrylic acid326914-22-1(E)-4-(3-bromoanilino)-4-oxobut-2-enoic acid4-((3-Bromophenyl)amino)-4-oxobut-2-enoic acid(2E)-4-[(3-bromophenyl)amino]-4-oxobut-2-enoic acid4-(3-bromoanilino)-4-oxo-2-butenoic acid59652-96-9SCHEMBL30764016STK279651AKOS002682235AKOS032949913CS-0451070
Show more names
N-(3-Bromophenyl)maleamicacid,97%N-(3-BroMophenyl)MaleaMic acid, 97%N-(3-BroMophenyl)MaleaMic acid, 97%(Z)-4-((3-bromophenyl)amino)-4-oxobut-2-enoic acid2-Butenoic acid, 4-[(3-bromophenyl)amino]-4-oxo-, (2Z)-
H115124-((3-Bromophenyl)amino)-4-oxobut-2-enoicacid(E)-4-((3-bromophenyl)amino)-4-oxobut-2-enoic acid
Database identifiers
- CAS
59652-96-9- PubChem CID
- 708586
- EC Number
- 691-941-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 479.4 · 479.4±45.0 °C(Predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Predicted)
- pka
- 2.76 · 2.76±0.25(Predicted)
- CAS DataBase Reference
- 59652 · 59652-96-9
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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Related reactions
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Compound notes
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