4-FLUORO-2-METHOXYBENZOICACID메틸에스테르

Methyl 4-fluoro-2-methoxybenzoate

HCID 10241478

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 204707-42-6
표준 SMILES: COC(=O)c1ccc(F)cc1OC
InChIKey: LJUAEPNTXDJBRX-UHFFFAOYSA-N
분자식: C9H9FO3
평균 분자량: 184.16 g/mol
단동위원소 질량: 184.05357237

이름 및 식별자

우선 이름: Methyl 4-fluoro-2-methoxybenzoate
IUPAC: methyl 4-fluoro-2-methoxybenzoate
현지명: 4-FLUORO-2-METHOXYBENZOICACID메틸에스테르
영어명: 4-Fluoro-2-methoxybenzoic acid methyl ester
분자식: C9H9FO3
분자량: 184.16

이름 및 동의어

Methyl 4-fluoro-2-methoxybenzoateBenzoic acid, 4-fluoro-2-methoxy-, methyl esterRefChem:816412606-563-4204707-42-64-Fluoro-2-methoxybenzoic acid methyl esterMFCD06203990Methyl 4-fluoro-2-methoxy-benzoateMethyl 2-methoxy-4-fluoro-benzoateSCHEMBL1146881Methyl4-fluoro-2-methoxybenzoateDTXSID70437147

이름 더 보기

4-FLUORO-2-METHOXYBENZOICACID메틸에스테르RARECHEM AL BF 1023Methyl 2-methoxy-4-fluorobenzoateMethyl 4-fluoro-2-Methoxybenzoate, 97+%2-Fluoro-2-methoxybenzoic acid methyl esterJR-13782, Methyl 4-fluoro-2-methoxybenzoate, 97%

LJUAEPNTXDJBRX-UHFFFAOYSA-NMethyl-4-fluoro-2-methoxybenzoateAKOS006282320AB23214CS-W017009AC-14741AS-40546DA-19348

데이터베이스 식별자

CAS: 204707-42-6
PubChem CID: 10241478
DTXSID: DTXSID70437147
EC Number: 606-563-4
Nikkaji: J2.723.252C

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 134 · 134-136°C
끓는 점: 232 ℃ · 232℃
밀도: 1.184 · 1.184
인화점: 91 ℃ · 91℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
InChI: InChI=1S/C9H9FO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChIKey: LJUAEPNTXDJBRX-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(F)C=C1OC

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.