CAS 579511-01-6 Methyl 4-(3-hydroxyphenyl)benzoate (HCID 4564855)

기본 정보

CAS: 579511-01-6
표준 SMILES: COC(=O)c1ccc(-c2cccc(O)c2)cc1
InChIKey: LIQIQAWUDHGWSL-UHFFFAOYSA-N
분자식: C14H12O3
평균 분자량: 228.24 g/mol
단동위원소 질량: 228.07864424

이름 및 식별자

우선 이름: Methyl 4-(3-hydroxyphenyl)benzoate
IUPAC: methyl 4-(3-hydroxyphenyl)benzoate
현지명: 3'-하이드록시비페닐-4-카복실산메틸에스테르
영어명: 3'-HYDROXYBIPHENYL-4-CARBOXYLIC ACID METHYL ESTER
분자식: C14H12O3
분자량: 228.24

이름 및 동의어

579511-01-6Methyl 4-(3-hydroxyphenyl)benzoateDTXSID70404314RefChem:355372DTXCID00355168624-071-8Methyl 3'-Hydroxybiphenyl-4-carboxylateMethyl 3'-hydroxy-[1,1'-biphenyl]-4-carboxylateMFCD06409247Methyl 3 inverted exclamation mark -Hydroxybiphenyl-4-carboxylate3'-HYDROXYBIPHENYL-4-CARBOXYLIC ACID METHYL ESTERMethyl3'-Hydroxybiphenyl-4-carboxylate

이름 더 보기

3'-하이드록시비페닐-4-카복실산메틸에스테르AKOS BAR-0302SALOR-INT L480223-1EAMethyl 3’-Hydroxybiphenyl-4-carboxylate1,1'-Biphenyl]-4-carboxylic acid, 3'-hydroxy-, methyl ester[1,1'-Biphenyl]-4-carboxylicacid, 3'-hydroxy-, methyl ester

[1,1'-Biphenyl]-4-carboxylic acid, 3'-hydroxy-, methyl estermethyl 3'-hydroxy[1,1'-biphenyl]-4-carboxylateSCHEMBL4700092SCHEMBL31337006LIQIQAWUDHGWSL-UHFFFAOYSA-NAC2417AKOS004114000CS-11764

데이터베이스 식별자

CAS: 579511-01-6
PubChem CID: 4564855
DTXSID: DTXSID70404314
EC Number: 624-071-8
Nikkaji: J3.127.276I

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 256

물리화학적 성질

녹는점: 153 · 153-157 °C (lit.)
끓는 점: 404.8 · 404.8±38.0 °C(Predicted)
밀도: 1.194 · 1.194±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.55 · 9.55±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C14H12O3/c1-17-14(16)11-7-5-10(6-8-11)12-3-2-4-13(15)9-12/h2-9,15H,1H3
InChIKey: LIQIQAWUDHGWSL-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)-c2cccc(O)c2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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

wgk: 3
ridadr: UN 3077 9/PG 3
HS 번호: 2918290090
risk_code: 37/38-41-50/53
hazard_code: Xi,N
safety_code: 26-36-60-61
Hazard Classifications: Aquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

Methyl 4-bromobenzoate M-클로로페놀

공급사23 곳

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

烟台盛凯伦生物制品有限公司13356901049 · [email protected]

화합물 노트

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