4-Amino-3-hydroxybenzoic acid (HCID 137566)

개요

structure in first source

이름 및 식별자

우선 이름: 4-Amino-3-hydroxybenzoic acid
IUPAC: 4-amino-3-hydroxybenzoic acid
영어명: 4-Amino-3-hydroxybenzoic acid
분자식: C7H7NO3
분자량: 153.14

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

CAS: 2374-03-0
PubChem CID: 137566
DTXSID: DTXSID90178409
ChEMBL: CHEMBL1462
UNII: DCB6PQR8WG
EC Number: 629-073-2
Nikkaji: J80.460F

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 83.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzoic Acid Derivatives

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.5

Vapor Pressure0.000004 [mmHg]

Physical DescriptionTan powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 211 · 211-215 °C (lit.)
끓는 점: 385.7 · 385.7±37.0 °C(Predicted)
밀도: 1.028 · 1.028
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): 4.74 · 4.74±0.10(Predicted)
색상: 황갈색~갈색
수용성: 클로로포름, 수성 에탄올, 물에 용해됨(부분적으로 혼화성)
BRN: 509859 · 509859
주요 응용: 펩타이드 합성
InChI: InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)
InChIKey: NFPYJDZQOKCYIE-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(N)C(O)=C1

화학적 성질

yellow-brown to brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

안전 데이터

wgk: 3
HS 번호: 29225090
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Amino-3-hydroxybenzoic Acid is disubsituted benzoic acid used in the preparation of various pharmaceutical compounds such as sphingosine kinase inhibitors.