2-Fluoro-5-methylphenyl isocyanate

HCID 2733377CAS 190774-50-6

기본 정보

표준 SMILES: Cc1ccc(F)c(N=C=O)c1
InChIKey: GLSUJZPVKMKUPJ-UHFFFAOYSA-N
분자식: C8H6FNO
평균 분자량: 151.14 g/mol
단동위원소 질량: 151.04334203

이름 및 식별자

우선 이름: 2-Fluoro-5-methylphenyl isocyanate
IUPAC: 1-fluoro-2-isocyanato-4-methylbenzene
영어명: 2-Fluoro-5-methylphenyl isocyanate
분자식: C8H6FNO
분자량: 151.14

이름 및 동의어

190774-50-62-Fluoro-5-methylphenyl isocyanateDTXSID90369875RefChem:261001DTXCID40320911626-047-21-fluoro-2-isocyanato-4-methylbenzene2-Fluoro-5-MethylphenylIsocyanateBenzene, 1-fluoro-2-isocyanato-4-methyl-MFCD006730501-FLUORO-2-ISOCYANATO-4-METHYL-BENZENE2-fluoro-5-methylbenzenisocyanate

이름 더 보기

2-Fluoro-5-methyl isocyanate2-Fluoro-5-methylphenyl isocyanate,99%2-FLUORO-5-METHYLPHENYL ISOCYANATE 99%2-Fluoro-5-methylphenyl isocyanate ,98%2-Fluoro-5-methylphenyl isocyanate, GC 99%Benzene, 1-fluoro-2-isocyanato-4-methyl- (9CI)

SCHEMBL58424SCHEMBL311523492-fluoro-5-methyl-phenylisocyanateGEO-01411SBB064755AKOS0091587261-isocyanato-2-fluoro-5-methyl benzenePS-10285

데이터베이스 식별자

CAS: 190774-50-6
PubChem CID: 2733377
DTXSID: DTXSID90369875
EC Number: 626-047-2

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 177

물리화학적 성질

끓는 점: 192 °C · 192 °C(lit.)
밀도: 1.159 g/mL · 1.159 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.511(lit.)
인화점: 185 °F · 185 °F
저장 조건: -20 °C · -20°C
물리적 상태: 액체
색상: Clear, colourless
InChI: 1S/C8H6FNO/c1-6-2-3-7(9)8(4-6)10-5-11/h2-4H,1H3
InChIKey: GLSUJZPVKMKUPJ-UHFFFAOYSA-N
SMILES: Cc1ccc(F)c(c1)N=C=O

화학적 성질

Colorless clear liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: 2206
HS 번호: 2929100090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T,C
safety_code: 26-36-37/39
위험 등급: 6.1
위험 참고 사항: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

일반 설명2-Fluoro-5-methylphenyl isocyanate, also known as 1-fluoro-2-isocyanato-4-methylbenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported.