4'-Bromomaleanilic acid
Basic information
- CAS
36847-86-6- Standard SMILES
O=C(O)/C=C/C(=O)Nc1ccc(Br)cc1- InChIKey
DSNFUZCLEZJCRN-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO3
- Average molar mass
- 270.08 g/mol
- Monoisotopic mass
- 268.96876
Names & identifiers
- Preferred name
- 4'-Bromomaleanilic acid
- IUPAC
- (E)-4-(4-bromoanilino)-4-oxobut-2-enoic acid
- English name
- N-(4-Bromophenyl)maleamic acid
- Molecular formula
- C10H8BrNO3
- Molecular weight
- 270.08
Names & synonyms
36847-86-64'-Bromomaleanilic acidRefChem:506015666-227-8843664-90-4(E)-4-((4-bromophenyl)amino)-4-oxobut-2-enoic acid3-(N-(4-Bromophenyl)carbamoyl)prop-2-enoic acid(E)-4-(4-bromoanilino)-4-oxobut-2-enoic acid(2E)-3-[(4-BROMOPHENYL)CARBAMOYL]PROP-2-ENOIC ACIDMFCD00027402(2E)-4-[(4-bromophenyl)amino]-4-oxobut-2-enoic acid(E)-4-(4-bromoanilino)-4-oxo-but-2-enoic acid
Show more names
ASISCHEM Z51187N-(4-Bromophenyl)maleamic acid4'-(Bromophenyl)maleamic acidN-(4-Bromophenyl)maleamicacid,97%4-(4-Bromoanilino)-4-oxobut-2-enoic acid2-Butenoic acid, 4-[(4-bromophenyl)amino]-4-oxo-(Z)-4-((4-bromophenyl)amino)-4-oxobut-2-enoic acid
p-Bromomaleanilic acid59256-47-22-Butenoic acid, 4-[(4-bromophenyl)amino]-4-oxo-, (2E)-(Z)-4-(4-bromoanilino)-4-oxobut-2-enoic acid(2E)-3-[N-(4-bromophenyl)carbamoyl]prop-2-enoic acid3-[(4-bromophenyl)carbamoyl]prop-2-enoic acidN-(4-bromophenyl) maleamic acidSBB001060
Database identifiers
- CAS
36847-86-6- PubChem CID
- 698280
- EC Number
- 666-227-8
- Nikkaji
- J2.128.426B、J2.209.756C
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 270
Physicochemical properties
- Melting point
- 197 · 197-199 °C
- Boiling point
- 482 · 482.0±45.0 °C(Predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.5%)
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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