2-(Trifluoromethyl)phenyl isothiocyanate

HCID 737162CAS 1743-86-8

기본 정보

표준 SMILES: FC(F)(F)c1ccccc1N=C=S
InChIKey: FCEKLQPJGXIQRY-UHFFFAOYSA-N
분자식: C8H4F3NS
평균 분자량: 203.19 g/mol
단동위원소 질량: 203.00165479

이름 및 식별자

우선 이름: 2-(Trifluoromethyl)phenyl isothiocyanate
IUPAC: 1-isothiocyanato-2-(trifluoromethyl)benzene
영어명: 2-(Trifluoromethyl)phenyl isothiocyanate
분자식: C8H4F3NS
분자량: 203.18

이름 및 동의어

2-(Trifluoromethyl)phenyl isothiocyanate1743-86-8DTXSID50353179RefChem:254923DTXCID50304242626-674-11-isothiocyanato-2-(trifluoromethyl)benzeneBenzene, 1-isothiocyanato-2-(trifluoromethyl)-2-trifluoromethylphenylisothiocyanateMFCD000396442-trifluoromethylphenyl isothiocyanateTrifluoromethylphenylisothiocyanate

이름 더 보기

à,à,à-trifluoro-o-tolyl isothiocyanateO-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE1-Trifluoromethyl-2-isothiocyanatobenzene1-ISOTHIOCYANATO-2-TRIFLUOROMETHYL-BENZENE2-(Trifluoromethyl)phenyl isothiocyate, 98%Benzene,1-isothiocyanato-2-(trifluoromethyl)-Isothiocyanic Acid 2-(Trifluoromethyl)phenyl Ester alpha,alpha,alpha-Trifluoro-o-tolyl Isothiocyanate

alpha,alpha,alpha-Trifluoro-o-tolyl IsothiocyanateIsothiocyanic Acid 2-(Trifluoromethyl)phenyl Ester2-(trifluoromethyl) phenyl isothiocyanateT2459EN300-012412-(trifluoromethyl)benzenisothiocyanate2-(TrifluoAS04347

데이터베이스 식별자

CAS: 1743-86-8
PubChem CID: 737162
DTXSID: DTXSID50353179
EC Number: 626-674-1
Nikkaji: J3.491.149E

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 220

물리화학적 성질

끓는 점: 220 °C · 220 °C(lit.)
밀도: 1.346 g/mL · 1.346 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.566(lit.)
인화점: 221 °F · 221 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.346 · 1.346
BRN: 2693552 · 2693552

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.