Basic information
- CAS
52716-37-7- Standard SMILES
O=C(O)c1ccc(N=Cc2cc(Br)ccc2O)cc1- InChIKey
DPNSNZZTWGHWJB-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO3
- Average molar mass
- 320.14 g/mol
- Monoisotopic mass
- 318.98441
Names & identifiers
- Preferred name
- 4-((5-Bromo-2-hydroxy-benzylidene)-amino)-benzoic acid
- IUPAC
- 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid
- English name
- (E)-4-((5-bromo-2-hydroxybenzylidene)amino)benzoic acid
- Molecular formula
- C14H10BrNO3
- Molecular weight
- 320.14
Names & synonyms
4-((5-BROMO-2-HYDROXY-BENZYLIDENE)-AMINO)-BENZOIC ACIDRefChem:50962652716-37-7684-404-8SCHEMBL7821755SCHEMBL7821757AKOS001569985ST45186331SR-01000106628SR-01000106628-14-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl]benzoic acid4-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}benzoic acid
Show more names
(E)-4-((5-bromo-2-hydroxybenzylidene)amino)benzoic acidBenzoic acid, 4-[[(5-bromo-2-hydroxyphenyl)methylene]amino]-
Database identifiers
- CAS
52716-37-7- PubChem CID
- 768152
- EC Number
- 684-404-8
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 250 °C · >250 °C (decomp)(Solv: methanol (67-56-1); N,N-dimethylformamide (68-12-2))
- Boiling point
- 509 · 509.0±50.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 4.69 · 4.69±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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