Basic information
- CAS
133-11-9- Standard SMILES
Nc1ccc(C(=O)Oc2ccccc2)c(O)c1- InChIKey
DNVVZWSVACQWJE-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Overview
4-amino-2-hydroxybenzoic acid phenyl ester is a carbonyl compound.
Names & identifiers
- Preferred name
- Phenyl 4-aminosalicylate
- IUPAC
- phenyl 4-amino-2-hydroxybenzoate
- English name
- Phenyl-4-aminosalicylate
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
Phenyl 4-aminosalicylate133-11-9PHENYL AMINOSALICYLATEFenamisalphenyl 4-amino-2-hydroxybenzoatePhenyl PASp-AminosalolPheny-PAS-TebaminFenamisalumBenzoic acid, 4-amino-2-hydroxy-, phenyl esterNSC-40144DTXSID7021994
Show more names
FR 7TebanylPhenyl-PAS-TebaminTIMTEC-BB SBB000692
52936SIP7VNSC40144DTXCID201994para-aminosalicylic acid phenyl ester4-Aminosalicylic acid phenyl esterRefChem:58180205-092-8Tebamin
Database identifiers
- CAS
133-11-9- PubChem CID
- 8609
- DTXSID
DTXSID7021994- ChEMBL
CHEMBL1200868- ChEBI
CHEBI:114203- UNII
- 52936SIP7V
- EC Number
- 205-092-8
- Nikkaji
- J5.582D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.15
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section163.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 150 · 150-152 °C(lit.)
- Boiling point
- 371.13 °C · 371.13°C (rough estimate)
- Density
- 1.2084 · 1.2084 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.76 · 8.76±0.10(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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesPhenyl 4-Aminosalicylate is a reactant in the synthesis of p-aminosalicylic ester imines with antitubercular activity.
UsesAntibacterial(tuberculostatic).
Upstream & downstream products
Upstream raw materials
Suppliers28 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
Aceschem Inc.
Related reactions
1 records
Compound notes
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