4-(트리플루오로메틸티오)벤잘데하이드

4-[(Trifluoromethyl)sulfanyl]benzaldehyde

HCID 2777846

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4021-50-5
표준 SMILES: O=Cc1ccc(SC(F)(F)F)cc1
InChIKey: OPAXHVNZGUGCKW-UHFFFAOYSA-N
분자식: C8H5F3OS
평균 분자량: 206.19 g/mol
단동위원소 질량: 206.00132044

이름 및 식별자

우선 이름: 4-[(Trifluoromethyl)sulfanyl]benzaldehyde
IUPAC: 4-(trifluoromethylsulfanyl)benzaldehyde
현지명: 4-(트리플루오로메틸티오)벤잘데하이드
영어명: 4-(Trifluoromethylthio)benzaldehyde
분자식: C8H5F3OS
분자량: 206.18

이름 및 동의어

4-[(trifluoromethyl)sulfanyl]benzaldehyde4-((Trifluoromethyl)sulfanyl)benzaldehydeRefChem:509996670-301-54021-50-54-(Trifluoromethylthio)benzaldehyde4-((Trifluoromethyl)thio)benzaldehyde4-[(trifluoromethyl)thio]benzaldehyde4-(trifluoromethylsulfanyl)benzaldehydeMFCD00129191Benzaldehyde, 4-[(trifluoromethyl)thio]-DTXSID90380681

이름 더 보기

4-(트리플루오로메틸티오)벤잘데하이드4-Bromo-2-chloro-7-nitroaniline4-TRIFLUOMETHYLTHIO BENZOLDEHYE4-trifluomethylthio benzoldehyde4-(Trifluoromethylthio)benzaldehyde98%4-(Trifluoromethylthio)benzaldehyde 98%4-(Trifluoromethylthio)benzaldehyde, 90+%4-(Trifluoromethylthio)benzaldehyde ,p-(Trifluoromethylthio)benzaldehyde

FS-4245SY0489694-(Trifluoromethylthio)benzaldehyde, 90%4-[(trifluoromethyl)sulphanyl]benzaldehydeZ166646638AM62291A824984SCHEMBL833952

데이터베이스 식별자

CAS: 4021-50-5
PubChem CID: 2777846
DTXSID: DTXSID90380681
EC Number: 670-301-5
Nikkaji: J2.649.856B

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 173

물리화학적 성질

녹는점: 29 · 29-31 °C (lit.)
끓는 점: 219 °C · 219 °C (lit.)
밀도: 1 · 1,31 g/cm3
굴절률: 20 · n20/D 1.511(lit.)
인화점: 212 °F · 212 °F
저장 조건: Room temperature.
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
BRN: 2328411 · 2328411
InChI: 1S/C8H5F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H
InChIKey: OPAXHVNZGUGCKW-UHFFFAOYSA-N
SMILES: FC(F)(F)Sc1ccc(C=O)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (88.6%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.