2-[(2-Chlorophenyl)methylideneamino]benzoic acid
Basic information
- CAS
42027-37-2- Standard SMILES
O=C(O)c1ccccc1N=Cc1ccccc1Cl- InChIKey
YBTFPRVPEDKABZ-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO2
- Average molar mass
- 259.69 g/mol
- Monoisotopic mass
- 259.0400063
Names & identifiers
- Preferred name
- 2-[(2-Chlorophenyl)methylideneamino]benzoic acid
- IUPAC
- 2-[(2-chlorophenyl)methylideneamino]benzoic acid
- English name
- 2-[(2-Chlorophenyl)methylideneamino]benzoic acid
- Molecular formula
- C14H10ClNO2
- Molecular weight
- 259.69
Names & synonyms
42027-37-22-[(2-chlorophenyl)methylideneamino]benzoic acidNSC405393TimTec1_001020SCHEMBL11404055DTXSID50323993HMS1536O08AKOS024275144NSC-405393ST0102842-[(1E)-2-(2-chlorophenyl)-1-azavinyl]benzoic acid2-((2-CHLORO-BENZYLIDENE)-AMINO)-BENZOIC ACID
Show more names
Benzoic acid, 2-[[(2-chlorophenyl)methylene]amino]-
2-{(E)-[(2-Chlorophenyl)methylidene]amino}benzoic acid
Database identifiers
- CAS
42027-37-2- PubChem CID
- 346985
- DTXSID
DTXSID50323993- EC Number
- 167-802-1
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 470.6 · 470.6±30.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 3.71 · 3.71±0.36(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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