(4-Bromo-2-chloroformylanilino)acetic acid
Basic information
- CAS
618070-03-4- Standard SMILES
O=CN(CC(=O)O)c1ccc(Br)cc1Cl- InChIKey
GUMKUBKCXHWKLL-UHFFFAOYSA-N- Molecular formula
- C9H7BrClNO3
- Average molar mass
- 292.51 g/mol
- Monoisotopic mass
- 290.92978
Names & identifiers
- Preferred name
- (4-Bromo-2-chloroformylanilino)acetic acid
- IUPAC
- 2-(4-bromo-2-chloro-N-formylanilino)acetic acid
- English name
- SALOR-INT L172545-1EA
- Molecular formula
- C9H7BrClNO3
- Molecular weight
- 292.51
Names & synonyms
(4-bromo-2-chloroformylanilino)acetic acidRefChem:402471618070-03-4632-761-5AKOS024406580SALOR-INT L172545-1EA
Database identifiers
- CAS
618070-03-4- PubChem CID
- 5085595
- EC Number
- 632-761-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 477.099 · 477.099±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.784 · 1.784±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.394 · 3.394±0.10(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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