3-HYDROXYMETHYL-BENZOICACIDMETHYL에스테르

Benzoic acid, 3-(hydroxymethyl)-, methyl ester

HCID 155058

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 67853-03-6
표준 SMILES: COC(=O)c1cccc(CO)c1
InChIKey: FGOQWQMPNSYDBL-UHFFFAOYSA-N
분자식: C9H10O3
평균 분자량: 166.17 g/mol
단동위원소 질량: 166.06299418

이름 및 식별자

우선 이름: Benzoic acid, 3-(hydroxymethyl)-, methyl ester
IUPAC: methyl 3-(hydroxymethyl)benzoate
현지명: 3-HYDROXYMETHYL-BENZOICACIDMETHYL에스테르
영어명: 3-HYDROXYMETHYL-BENZOIC ACID METHYL ESTER
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

methyl 3-(hydroxymethyl)benzoate67853-03-6Benzoic acid, 3-(hydroxymethyl)-, methyl esterDTXSID50218092RefChem:565771DTXCID70140583852-291-63-Hydroxymethyl-benzoic acid methyl esterMFCD062027523-Hydroxymethylbenzoic acid methyl ester3-(Hydroxymethyl)benzoic acid methyl esterMethyl m-Hydroxymethylbenzoate; 3-(Methoxycarbonyl)benzyl Alcohol;

이름 더 보기

3-HYDROXYMETHYL-BENZOICACIDMETHYL에스테르

Methyl3-(hydroxymethyl)benzoate3-(hydroxymethyl)benzoateMethyl 3-(hydroxymethyl)3-Carbomethoxybenzyl alcoholSCHEMBL40012SCHEMBL95887methyl 3-hydroxymethylbenzoatem-methoxycarbonylbenzyl alcohol

데이터베이스 식별자

CAS: 67853-03-6
PubChem CID: 155058
DTXSID: DTXSID50218092
EC Number: 852-291-6
Nikkaji: J1.360.661G

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 296.5 · 296.5±23.0 °C(Predicted)
밀도: 1.177 · 1.177±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.08 · 14.08±0.10(Predicted)
물리적 상태: 기름
색상: 투명 무색

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2918199890

화학 및 산업

응용 분야

용도Methyl 3-(Hydroxymethyl)benzoate is used in the synthetic preparation of N-acylhydrazone derivatives as lactate dehydrogenase A inhibitors.

상·하류 제품 정보

상류 원료

공급사35 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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