Basic information
- CAS
36847-85-5- Standard SMILES
O=C(O)/C=C/C(=O)Nc1ccccc1Br- InChIKey
CJHBOIXAXNGQNF-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO3
- Average molar mass
- 270.08 g/mol
- Monoisotopic mass
- 268.96876
Names & identifiers
- Preferred name
- N-(2-Bromophenyl)maleamic acid
- IUPAC
- (E)-4-(2-bromoanilino)-4-oxobut-2-enoic acid
- English name
- N-(2-BroMophenyl)MaleaMic acid, 97%
- Molecular formula
- C10H8BrNO3
- Molecular weight
- 270.08
Names & synonyms
36847-85-5RefChem:825121662-181-8N-(2-Bromophenyl)maleamic acid4-((2-Bromophenyl)amino)-4-oxobut-2-enoic acid(E)-4-(2-bromoanilino)-4-oxobut-2-enoic acid(2E)-4-(2-bromoanilino)-4-oxo-2-butenoic acidAKOS002682234EN300-2121294-((2-Bromophenyl)amino)-4-oxobut-2-enoicacidN-(2-BroMophenyl)MaleaMic acid, 97%N-(2-BroMophenyl)MaleaMic acid, 97%
Show more names
3-[(2-Bromophenyl)carbamoyl]prop-2-enoic Acid2-Butenoic acid, 4-[(2-bromophenyl)amino]-4-oxo-
Database identifiers
- CAS
36847-85-5- PubChem CID
- 709262
- EC Number
- 662-181-8
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 478.8 · 478.8±45.0 °C(Predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers5 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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