1-Isocyanato-4-[(trifluoromethyl)sulfanyl]benzene

HCID 2733392

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 24032-84-6
표준 SMILES: O=C=Nc1ccc(SC(F)(F)F)cc1
InChIKey: NYQSIHZNEJCZKX-UHFFFAOYSA-N
분자식: C8H4F3NOS
평균 분자량: 219.19 g/mol
단동위원소 질량: 218.99656941

이름 및 식별자

우선 이름: 1-Isocyanato-4-[(trifluoromethyl)sulfanyl]benzene
IUPAC: 1-isocyanato-4-(trifluoromethylsulfanyl)benzene
영어명: 4-(TRIFLUOROMETHYLTHIO)PHENYL ISOCYANATE
분자식: C8H4F3NOS
분자량: 219.18

이름 및 동의어

1-isocyanato-4-[(trifluoromethyl)sulfanyl]benzene1-isocyanato-4-((trifluoromethyl)sulfanyl)benzeneRefChem:433327623-657-04-(Trifluoromethylthio)phenyl isocyanate24032-84-61-isocyanato-4-(trifluoromethylsulfanyl)benzeneMFCD000360254-(Trifluoromethylthio)phenylisocyanate4-[(trifluoromethyl)thio]phenyl isocyanateBenzene, 1-isocyanato-4-[(trifluoromethyl)thio]-TIMTEC-BB SBB006639

이름 더 보기

4-(TRIFLUOROMETHYLTHIO)PHENYL ISOCYANATE 97%4-(Trifluoromethylthio)phenyl isocyanate,97%1-Isocyanato-4-[(Trifluoromethyl)Thio]-Benzene1-Isocyanato-4-[(trifluoromethyl)thio]benzene, 4-Isocyanato-alpha,alpha,alpha-trifluorothioanisole

1-Isocyanato-4-[(trifluoromethyl)thio]benzeneSCHEMBL1020679DTXSID803698894-IsocyanatotrifluoromethylthiobenzeneSBB0066394-(trifluoromethylthio)benzenisocyanateAKOS005254838FI89701

데이터베이스 식별자

CAS: 24032-84-6
PubChem CID: 2733392
DTXSID: DTXSID80369889
EC Number: 623-657-0

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 229

물리화학적 성질

끓는 점: 43 °C0.01 · 43 °C0.01 mm Hg(lit.)
밀도: 1.365 g/mL · 1.365 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.511(lit.)
인화점: 203 °F · 203 °F
저장 조건: Keep Cold
물리적 상태: 기름
색상: 옅은 노랑
수용성: 물로 가수분해됩니다.
BRN: 6290747 · 6290747

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.