4-Amino-5-bromo-2-methoxybenzoic acid
Basic information
- CAS
35290-97-2- Standard SMILES
COc1cc(N)c(Br)cc1C(=O)O- InChIKey
WHXLHIGUTBQVOF-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO3
- Average molar mass
- 246.06 g/mol
- Monoisotopic mass
- 244.96876
Names & identifiers
- Preferred name
- 4-Amino-5-bromo-2-methoxybenzoic acid
- IUPAC
- 4-amino-5-bromo-2-methoxybenzoic acid
- English name
- 4-Amino-5-bromo-2-methoxybenzenecarboxylic acid
- Molecular formula
- C8H8BrNO3
- Molecular weight
- 246.06
Names & synonyms
4-Amino-5-bromo-2-methoxybenzoic acid35290-97-2Benzoic acid, 4-amino-5-bromo-2-methoxy-SVJ2V07DZM2-Methoxy-4-amino-5-bromobenzoic acidEINECS 252-491-8UNII-SVJ2V07DZM5-Bromo-4-amino-2-methoxybenzoic acidDTXSID701887834-AMINO-5-BROMO-O-ANISIC ACIDRefChem:97784DTXCID30111274
Show more names
4-Amino-5-bromo-2-methoxybenzenecarboxylic acid 98%Bromopride Impurity 2/4-Amino-5-bromo-2-methoxybenzenecarboxylic Acid
252-491-84-amino-5-bromo-2-methoxybenzenecarboxylic acidBromopride Impurity CBromopride Impurity 37MFCD021860274-Amino-5-bromo-2-methoxybenzoicacid4-amino-5-bromo-2-methoxy-benzoic acidBromopride Impurity 4
Database identifiers
- CAS
35290-97-2- PubChem CID
- 618706
- DTXSID
DTXSID70188783- ChEMBL
CHEMBL1705592- UNII
- SVJ2V07DZM
- EC Number
- 252-491-8
- Nikkaji
- J260.572D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 186 · 186-188°C
- Boiling point
- 395.5 · 395.5±42.0 °C(Predicted)
- Density
- 1.703 · 1.703±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 4.36 · 4.36±0.10(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 2 V07DZM · SVJ2V07DZM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Amino-5-bromo-2-methoxybenzenecarboxylic acid is an impurity of bromopride (B686645), which is an antiemetic.
Suppliers
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Related reactions
1 records
Compound notes
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