3-FLUORO-4-HYDROXY-BENZOICACIDMETHYL에스테르

Methyl 3-fluoro-4-hydroxybenzoate

HCID 7019368

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 403-01-0
표준 SMILES: COC(=O)c1ccc(O)c(F)c1
InChIKey: IYUSGKSCDUJSKS-UHFFFAOYSA-N
분자식: C8H7FO3
평균 분자량: 170.14 g/mol
단동위원소 질량: 170.0379223

이름 및 식별자

우선 이름: Methyl 3-fluoro-4-hydroxybenzoate
IUPAC: methyl 3-fluoro-4-hydroxybenzoate
현지명: 3-FLUORO-4-HYDROXY-BENZOICACIDMETHYL에스테르
영어명: 3-Fluoro-4-hydroxy-benzoic acid methyl ester
분자식: C8H7FO3
분자량: 170.14

이름 및 동의어

Methyl 3-fluoro-4-hydroxybenzoate403-01-0DTXSID90427106RefChem:354993DTXCID40377940846-367-83-Fluoro-4-hydroxy-benzoic acid methyl esterMFCD00215838methyl 3-fluoro-4-hydroxy-benzoate3-Fluoro-4-hydroxybenzoic acid methyl ester3-Fluoro-4-hydroxy benzoic acid methyl esterBenzoic acid, 3-fluoro-4-hydroxy-, methyl ester

이름 더 보기

3-FLUORO-4-HYDROXY-BENZOICACIDMETHYL에스테르RARECHEM AL BF 0259Fluoro-4-hydroxybenzoate

METHYL3-FLUORO-4-HYDROXYBENZOATESCHEMBL199239SCHEMBL2456384IYUSGKSCDUJSKS-UHFFFAOYSA-NAKOS006272473CS-W005048FF13992AC-12550

데이터베이스 식별자

CAS: 403-01-0
PubChem CID: 7019368
DTXSID: DTXSID90427106
EC Number: 846-367-8
Nikkaji: J773.050K

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 91 · 91-93℃
끓는 점: 259.9 · 259.9±25.0℃ (760 Torr)
밀도: 1.309 · 1.309±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 111 · 111.0±23.2℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 7.1 · 7.10±0.18(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.