4-(4-Methoxybenzylideneamino)benzoic acid
Basic information
- CAS
4380-38-5- Standard SMILES
COc1ccc(C=Nc2ccc(C(=O)O)cc2)cc1- InChIKey
ATXBWEWYPPSELE-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- 4-(4-Methoxybenzylideneamino)benzoic acid
- IUPAC
- 4-[(4-methoxyphenyl)methylideneamino]benzoic acid
- English name
- RARECHEM AL BO 0402
- Molecular formula
- C15H13NO3
- Molecular weight
- 255.27
Names & synonyms
4-(4-Methoxybenzylideneamino)benzoic acidRefChem:514310652-165-94380-38-5Benzoicacid, 4-[[(4-methoxyphenyl)methylene]amino]-4-{[(E)-(4-methoxyphenyl)methylidene]amino}benzoic acid4-[(4-methoxyphenyl)methylideneamino]benzoic acidNSC201833CBDivE_003821SCHEMBL11842667SCHEMBL12416599DTXSID90308062
Show more names
RARECHEM AL BO 0402Benzoic acid, 4-[[(4-methoxyphenyl)methylene]amino]-
CCG-45412MFCD00020355STK095894AKOS002160786COc1ccc(cc1)C=Nc1ccc(cc1)C(=O)ONSC-201833ZINC000000096859DS-007211
Database identifiers
- CAS
4380-38-5- PubChem CID
- 305091
- DTXSID
DTXSID90308062- EC Number
- 652-165-9
- Nikkaji
- J1.108.124J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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