3-(Trifluoromethyl)-4-methylphenyl Isocyanate

HCID 3449170CAS 51903-64-1

기본 정보

표준 SMILES: Cc1ccc(N=C=O)cc1C(F)(F)F
InChIKey: XWSZWQGFJRBXMO-UHFFFAOYSA-N
분자식: C9H6F3NO
평균 분자량: 201.14 g/mol
단동위원소 질량: 201.0401483

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)-4-methylphenyl Isocyanate
IUPAC: 4-isocyanato-1-methyl-2-(trifluoromethyl)benzene
영어명: 3-(Trifluoromethyl)-4-methylphenyl isoc&
분자식: C9H6F3NO
분자량: 201.15

이름 및 동의어

3-(Trifluoromethyl)-4-methylphenyl isocyanateRefChem:496343622-315-851903-64-14-Methyl-3-(trifluoromethyl)phenylisocyanate4-isocyanato-1-methyl-2-(trifluoromethyl)benzene4-Methyl-3-(trifluoromethyl)phenyl isocyanateMFCD034272124-methyl-3-trifluoromethylphenyl isocyanateBenzene, 4-isocyanato-1-methyl-2-(trifluoromethyl)-SCHEMBL1403637SCHEMBL30870569

이름 더 보기

3-(Trifluoromethyl)-4-methylphenyl isoc&4-Methyl-3-(trifluoromethyl)phenyl isocyanate 97%3-(Trifluoromethyl)-4-methylphenyl isocyanate ,97%4-METHYL-3-(TRIFLUOROMETHYL)PHENYLISOCYANATE, 97% MIN.

DTXSID00392573SBB064741AKOS0100785564-methyl-3-(trifluoromethyl)benzenisocyanateEN300-2725014-Isocyanato-1-methyl-2-trifluoromethyl-benzene3-(Trifluoromethyl)-4-methylphenyl isocyanate, 97%4-Isocyanato-1-methyl-2-(trifluoromethyl)benzene, 5-Isocyanato-alpha,alpha,alpha-trifluoro-o-xylene

데이터베이스 식별자

CAS: 51903-64-1
PubChem CID: 3449170
DTXSID: DTXSID00392573
EC Number: 622-315-8

물성

구조 계산 물성

XLogP: 4
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 245

물리화학적 성질

끓는 점: 190 · 190-191 °C(lit.)
밀도: 1.288 g/mL · 1.288 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4800(lit.)
인화점: 175 °F · 175 °F
물리적 상태: 액체
색상: 투명한

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Acute Tox. 4 (97.5%)；Skin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；Acute Tox. 4 (97.5%)；Resp. Sens. 1 (97.5%)；STOT SE 3 (97.5%)