Basic information
- CAS
60027-80-7- Standard SMILES
COc1ccc(C=Nc2ccccc2C(=O)O)cc1- InChIKey
SZIDPRXJWMIIJF-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- p-Methoxybenzylideneanthranilic acid
- IUPAC
- 2-[(4-methoxyphenyl)methylideneamino]benzoic acid
- English name
- N-(4-Methoxybenzylidene)anthranilic acid
- Molecular formula
- C15H13NO3
- Molecular weight
- 255.27
Names & synonyms
DTXSID001290523p-Methoxybenzylideneanthranilic acidN-(4-METHOXYBENZYLIDENE)ANTHRANILIC ACIDRefChem:858119DTXCID901721133684-754-160027-80-7Benzoic acid, 2-(((4-methoxyphenyl)methylene)amino)-BRN 2851738AI3-202282-(((4-Methoxyphenyl)methylene)amino)benzoic acidNSC405405
Show more names
Benzoic acid, 2-[[(4-methoxyphenyl)methylene]amino]-
TimTec1_0009761-14-00-00537 (Beilstein Handbook Reference)SCHEMBL9279172SCHEMBL20279174SCHEMBL202855802-{[(4-METHOXYPHENYL)METHYLIDENE]AMINO}BENZOIC ACIDHMS1536M08AKOS024275136
Database identifiers
- CAS
60027-80-7- PubChem CID
- 101290
- DTXSID
DTXSID001290523- EC Number
- 684-754-1
- Nikkaji
- J407.036D
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 321
Physicochemical properties
- Melting point
- 142 °C · 142 °C
- Boiling point
- 471 · 471.0±30.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 2.77 · 2.77±0.36(Predicted)
- 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 39 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
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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