4-HYDROXY-2-METHOXY-BENZOICACID메틸에스테르

Methyl 4-hydroxy-2-methoxybenzoate

HCID 12532676CAS 28478-46-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(O)cc1OC
InChIKey: KCWJRQPHPPKPBK-UHFFFAOYSA-N
분자식: C9H10O4
평균 분자량: 182.17 g/mol
단동위원소 질량: 182.0579088

개요

Methyl 4-hydroxy-2-methoxybenzoate has been reported in Schnella guianensis with data available.

이름 및 식별자

우선 이름: Methyl 4-hydroxy-2-methoxybenzoate
IUPAC: methyl 4-hydroxy-2-methoxybenzoate
현지명: 4-HYDROXY-2-METHOXY-BENZOICACID메틸에스테르
영어명: 4-HYDROXY-2-METHOXY-BENZOIC ACID METHYL ESTER
분자식: C9H10O4
분자량: 182.18

이름 및 동의어

Methyl 4-hydroxy-2-methoxybenzoate28478-46-8Benzoic acid, 4-hydroxy-2-methoxy-, methyl esterDTXSID70501559RefChem:816453DTXCID60452369804-980-84-Hydroxy-2-methoxy-benzoic acid methyl esterMFCD062038154-hydroxy-2-methoxybenzoic acid methyl esterMethyl4-hydroxy-2-methoxybenzoatemethyl 4-hydroxy-2-methoxy-benzoate

이름 더 보기

4-HYDROXY-2-METHOXY-BENZOICACID메틸에스테르4-Hydroxy-2-Methoxy-BenzoicacMethyl 4-hydroxy-o-anisate

4-HYDROXY-2-METHOXY-BENZOICACIDMETHYLESTERSCHEMBL3228954-HYDROXY-2-METHOXY-BECHEMBL2252250KCWJRQPHPPKPBK-UHFFFAOYSA-NMethyl 2-methoxy-4-hydroxybenzoateDBA47846AKOS006294725

데이터베이스 식별자

CAS: 28478-46-8
PubChem CID: 12532676
DTXSID: DTXSID70501559
ChEMBL: CHEMBL2252250
EC Number: 804-980-8
Nikkaji: J2.084.275J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 180

물리화학적 성질

녹는점: 150 · 150-151℃
저장 조건: Inert atmosphere,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2918999090

화학 및 산업

응용 분야

용도Methyl 4-Hydroxy-2-methoxybenzoate is a reagent used in the synthesis of sphingosine-1-phosphate receptor agonist Ceralifimod used in the treatment of autoimmune diseases.