3-(Trifluoromethyl)-4-methylphenyl Isocyanate (HCID 3449170)

名称と識別子

優先名称: 3-(Trifluoromethyl)-4-methylphenyl Isocyanate
IUPAC: 4-isocyanato-1-methyl-2-(trifluoromethyl)benzene
英語名: 3-(Trifluoromethyl)-4-methylphenyl isoc&
分子式: C9H6F3NO
分子量: 201.15

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 4
極性表面積: 29.4 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 245

物理化学的性質

沸点: 190 · 190-191 °C(lit.)
比重(密度): 1.288 g/mL · 1.288 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4800(lit.)
闪点: 175 °F · 175 °F
外見: liquid
色: clear

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)