2-Methoxy-6-methylsulfanyl-4-trifluoromethyl-benzoic acid

HCID 59197921CAS 1208984-79-5

기본 정보

표준 SMILES: COc1cc(C(F)(F)F)cc(SC)c1C(=O)O
InChIKey: REVNVSSONPEOEQ-UHFFFAOYSA-N
분자식: C10H9F3O3S
평균 분자량: 266.24 g/mol

이름 및 식별자

우선 이름: 2-Methoxy-6-methylsulfanyl-4-trifluoromethyl-benzoic acid
IUPAC: 2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzoic acid

이름 및 동의어

2-Methoxy-6-methylsulfanyl-4-trifluoromethyl-benzoic acid1208984-79-5SCHEMBL4228592-methoxy-6-(methylthio)-4-(trifluoromethyl)benzoic acid

데이터베이스 식별자

CAS: 1208984-79-5
PubChem CID: 59197921
EC Number: 689-647-3

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 71.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 282

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.