CAS 2374-03-0 4-Amino-3-hydroxybenzoic acid (HCID 137566)

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Basic information

CAS: 2374-03-0
Standard SMILES: Nc1ccc(C(=O)O)cc1O
InChIKey: NFPYJDZQOKCYIE-UHFFFAOYSA-N
Molecular formula: C7H7NO3
Average molar mass: 153.14 g/mol
Monoisotopic mass: 153.04259308

Overview

structure in first source

Names & identifiers

Preferred name: 4-Amino-3-hydroxybenzoic acid
IUPAC: 4-amino-3-hydroxybenzoic acid
English name: 4-Amino-3-hydroxybenzoic acid
Molecular formula: C7H7NO3
Molecular weight: 153.14

Names & synonyms

4-Amino-3-hydroxybenzoic acid2374-03-0benzoic acid, 4-amino-3-hydroxy-DCB6PQR8WGNSC-407243DTXSID90178409RefChem:97741DTXCID70100900629-073-23-hydroxy-4-aminobenzoic acidMFCD000170944-Amino-3-hydroxy benzoic acid

Show more names

4-Amino-3-hydroxybenzoic acid USP/EP/BP3-Hydroxy PABA3-hydroxy-4-AMino acidOxybuprocaine Impurity 3Oxybuprocaine EP Impurity C3-hydroxy-4-aminobenzoic Acids4-Amino-3-hydroxybenzoic Acid >

CHEMBL14623-Hydroxy-p-aminobenzoic acid(4-Carboxy-2-hydroxyphenyl)amineTafamidis intermediateOxybuprocaine Hydrochloride EP Impurity C2hdr4-Amino-3-hydroxybenzoicAcid4-amino-3-hydroxy-benzoic acid

Database identifiers

CAS: 2374-03-0
PubChem CID: 137566
DTXSID: DTXSID90178409
ChEMBL: CHEMBL1462

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzoic Acid Derivatives

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.5

Vapor Pressure0.000004 [mmHg]

Physical DescriptionTan powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 211 · 211-215 °C (lit.)
Boiling point: 385.7 · 385.7±37.0 °C(Predicted)
Density: 1.028 · 1.028
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Crystalline Powder
pka: 4.74 · 4.74±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 08-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27103

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29225090
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335

Chemistry & industry

Applications

Uses4-Amino-3-hydroxybenzoic Acid is disubsituted benzoic acid used in the preparation of various pharmaceutical compounds such as sphingosine kinase inhibitors.

Uses4-Amino-3-hydroxybenzoic acid is used in the preparation of various pharmaceutical compounds such as sphingosine kinase inhibitors.