CAS 35748-34-6 Methyl 3-amino-2-hydroxybenzoate (HCID 12782444)

기본 정보

CAS: 35748-34-6
표준 SMILES: COC(=O)c1cccc(N)c1O
InChIKey: OMWQHVRUXLRZRC-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: Methyl 3-amino-2-hydroxybenzoate
IUPAC: methyl 3-amino-2-hydroxybenzoate
현지명: 3-아미노-2-하이드록시벤조산메틸에스테르
영어명: 3-Amino-2-hydroxybenzoic acid methyl ester
분자식: C8H9NO3
분자량: 167.16

이름 및 동의어

methyl 3-amino-2-hydroxybenzoate35748-34-6DTXSID20509747RefChem:354805DTXCID50460554817-266-63-amino-2-hydroxybenzoic acid methyl esterMFCD09842614methyl3-amino-2-hydroxybenzoateBenzoic acid, 3-amino-2-hydroxy-, methyl esterMETHYL 3-AMINOSALICYLATEmethyl 3-amino-2-hydroxy-benzoate

이름 더 보기

3-아미노-2-하이드록시벤조산메틸에스테르Methyl 3-amino-salicylateMethyl3-aminosalicylate,97%Methyl 3-aMinosalicylate, 95%Benzoic acid,3-aMino-2-hydroxy-, Methyl ester3-amino-2-hydroxy-Benzoic acid methyl ester (9CI ACI)Benzoic acid, 3-amino-2-hydroxy-, methyl ester (9CI, ACI)2-Hydroxy-3-(methoxycarbonyl)aniline, 2-Amino-6-(methoxycarbonyl)phenol

methyl-m-aminosal3-Aminosalicylic Acid Methyl Ester; Methyl 2-Hydroxy-3-aminobenzoate; Methyl 3-Amino-2-hydroxybenzoate; Methyl 3-Aminosalicylatemethyl-m-aminosalicylatA1CSCMethyl-3-aminosalicylateSCHEMBL204668SCHEMBL6199717aminohydroxy-benzoic methyl ester

데이터베이스 식별자

CAS: 35748-34-6
PubChem CID: 12782444
DTXSID: DTXSID20509747
EC Number: 817-266-6
Nikkaji: J3.692.692I

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 72.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 120 ℃ · 120℃ (dichloromethane )
끓는 점: 274.9 · 274.9±25.0 °C(Predicted)
밀도: 1.305 · 1.305±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름, DMSO, 메탄올 에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 9.55 · 9.55±0.10(Predicted)
색상: 연한 갈색
InChI: InChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,9H2,1H3
InChIKey: OMWQHVRUXLRZRC-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=CC(N)=C1O

안전 및 규제

GHS 분류

GHS Classification · 4건

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.