1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene

HCID 520026

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23163-86-2
표준 SMILES: FC(F)(F)c1cc(N=C=S)ccc1Cl
InChIKey: AHFPRSSHNSGRCU-UHFFFAOYSA-N
분자식: C8H3ClF3NS
평균 분자량: 237.63 g/mol
단동위원소 질량: 236.96268244

이름 및 식별자

우선 이름: 1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene
IUPAC: 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene
영어명: 4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate
분자식: C8H3ClF3NS
분자량: 237.63

이름 및 동의어

23163-86-21-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzeneRefChem:431410624-319-54-Chloro-3-(trifluoromethyl)phenyl isothiocyanateBenzene, 1-chloro-4-isothiocyanato-2-(trifluoromethyl)-4-chloro-3-(trifluoromethyl)phenylisothiocyanateMFCD000410904-Chloro-3-trifluoromethylphenyl isothiocyanate4-chloro-3-(trifluoromethyl)benzenisothiocyanateA816602SCHEMBL881834

이름 더 보기

4-CHLORO-3-TRIFLUOROMETHYLPHENYL ISOTHIO4-Chloro-3-(trifluoromethyl)phenylisothiocyanate99%4-Chloro-3-(trifluoromethyl)phenyl isothiocyate, 99%4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate 99%1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene, 2-Chloro-5-isothiocyanatobenzotrifluoride

1-chloro-4-isothiocyanato-2-trifluoromethyl-benzeneDTXSID30334229SBB066511AKOS003355346PS-10274SY062091DB-046093ST50825865

데이터베이스 식별자

CAS: 23163-86-2
PubChem CID: 520026
DTXSID: DTXSID30334229
EC Number: 624-319-5
Nikkaji: J2.994.017G

물성

구조 계산 물성

XLogP: 5.6
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 249

물리화학적 성질

녹는점: 34 °C · 34 °C
끓는 점: 248 · 248-251 °C(lit.)
밀도: 1.47 g/mL · 1.47 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5905(lit.)
인화점: 248 · 248-251°C
저장 조건: Keep Cold
물리적 상태: 액체
Specific Gravity: 1.44 · 1.440
색상: 맑은 연한 노란색
BRN: 787371 · 787371

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.