4-트리플루오로메틸벤질이소시아네이트

4-(Trifluoromethyl)benzyl isocyanate

HCID 22337699CAS 102422-55-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C=NCc1ccc(C(F)(F)F)cc1
InChIKey: MBBQXHDBRSSIKS-UHFFFAOYSA-N
분자식: C9H6F3NO
평균 분자량: 201.14 g/mol
단동위원소 질량: 201.04014847

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)benzyl isocyanate
IUPAC: 1-(isocyanatomethyl)-4-(trifluoromethyl)benzene
현지명: 4-트리플루오로메틸벤질이소시아네이트
영어명: 4-Trifluoromethylbenzylisocyanate
분자식: C9H6F3NO
분자량: 201.15

이름 및 동의어

4-(Trifluoromethyl)benzyl isocyanateRefChem:517139688-598-5102422-55-94-Trifluoromethylbenzylisocyanate1-(isocyanatomethyl)-4-(trifluoromethyl)benzeneBenzene, 1-(isocyanatomethyl)-4-(trifluoromethyl)-MFCD07779315Benzene,1-(isocyanatomethyl)-4-(trifluoromethyl)-SCHEMBL1648872DTXSID50624952GEO-02377

이름 더 보기

4-트리플루오로메틸벤질이소시아네이트Trifluoromethyl Benzylisocyanate3-(Trifluoromethyl)benzylhydrazide4-(Trifluoromethyl)benzyl isocyanate 95%1-(trifluoromethyl)-4-(isocyanatomethyl)benzene

SBB092729[4-(trifiuoromethyl)benzyl]isocyanate[4-(trifluoromethyl)benzyl]isocyanateAKOS005255206[4-(trifluoromethyl) benzyl]isocyanateFT07920AS-33231SY024325

데이터베이스 식별자

CAS: 102422-55-9
PubChem CID: 22337699
DTXSID: DTXSID50624952
EC Number: 688-598-5

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 225

물리화학적 성질

끓는 점: 212 ℃ · 212℃
밀도: 1.21 · 1.21
인화점: 89 ℃ · 89℃
저장 조건: -20 °C · Storage temp. -20°C
물리적 상태: 액체
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.