4'-Bromophthalanilic acid
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Basic information
- CAS
19336-83-5- Standard SMILES
O=C(O)c1ccccc1C(=O)Nc1ccc(Br)cc1- InChIKey
RVLIVDPEIKFJMG-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO3
- Average molar mass
- 320.14 g/mol
- Monoisotopic mass
- 318.98441
Names & identifiers
- Preferred name
- 4'-Bromophthalanilic acid
- IUPAC
- 2-[(4-bromophenyl)carbamoyl]benzoic acid
- English name
- 2-[(4-BROMOANILINO)CARBONYL]-BENZOIC ACID
- Molecular formula
- C14H10BrNO3
- Molecular weight
- 320.14
Names & synonyms
4'-bromophthalanilic acidRefChem:506018660-084-519336-83-52-((4-bromophenyl)carbamoyl)benzoic acid2-[(4-bromophenyl)carbamoyl]benzoic acid2-[[(4-Bromophenyl)amino]carbonyl]benzoic acidF0777-0596CBDivE_0026452-[(4-bromoanilino)carbonyl]benzoic acidMaybridge1_0066072-[(4-BROMOANILINO)CARBONYL]-BENZOIC ACID
Show more names
Benzoic acid, 2-[[(4-bromophenyl)amino]carbonyl]-
Benzoic acid,2-[[(4-bromophenyl)amino]carbonyl]-SCHEMBL7827900HMS560E07DTXSID20351501SMSSF-0531829STL355847AKOS001267474o-(N-p-bromophenylcarbamoyl)benzoic acid
Database identifiers
- CAS
19336-83-5- PubChem CID
- 701910
- DTXSID
DTXSID20351501- EC Number
- 660-084-5
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P264-P270-P301+P312-P330-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, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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