Basic information
- CAS
56356-15-1- Standard SMILES
Cc1ccc(OC(=O)c2ccc(N)cc2O)cc1- InChIKey
OJIOCNFCPOQZFN-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- Para-tolyl 4-aminosalicylate
- IUPAC
- (4-methylphenyl) 4-amino-2-hydroxybenzoate
- English name
- para-Tolyl 4-aminosalicylate
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
Para-Tolyl 4-AminosalicylateRefChem:858596654-963-256356-15-1Salicylic acid, 4-amino-, p-tolyl esterp-Tolyl pasp-Tolyl-4-aminosalicylate4-Aminosalicylic acid p-tolyl ester4-methylphenyl 4-amino-2-hydroxybenzoate(4-methylphenyl) 4-amino-2-hydroxybenzoateBRN 2855293Benzoic acid, 4-amino-2-hydroxy-, 4-methylphenyl ester
Show more names
OJIOCNFCPOQZFN-UHFFFAOYSA-N4-amino-2-hydroxy-benzoic acid p-tolyl ester
4-14-00-01981 (Beilstein Handbook Reference)cid_91815CHEMBL1413772BDBM32218DTXSID50204910NSC96639p-tolyl 4-amino-2-hydroxy-benzoateNSC 96639
Database identifiers
- CAS
56356-15-1- PubChem CID
- 91815
- DTXSID
DTXSID50204910- ChEMBL
CHEMBL1413772- EC Number
- 654-963-2
- Nikkaji
- J1.576.363I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
LogP3.38
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
ASDI-INTER[email protected]
SIGMAALDRICH—
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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