CAS 853064-87-6 1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylate (HCID 18443720)

基本情報

CAS: 853064-87-6
標準SMILES: C=C(C)C(=O)OCC(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIKey: WNAVFWSIXYHORQ-UHFFFAOYSA-N
分子式: C11H14F6O3
平均分子量: 308.22 g/mol
単同位体質量: 308.08471328

名称と識別子

優先名称: 1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylate
IUPAC: [5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2-methylprop-2-enoate
英語名: 1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4-methyl-5-pentyl methacrylate
分子式: C11H14F6O3
分子量: 308.22

名称と別名

1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylateRefChem:409448663-483-2853064-87-65,5,5-Trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl methacrylate5,5,5-Trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl 2-methylprop-2-enoateSCHEMBL2976959DTXSID40593825[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2-methylprop-2-enoate1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4-methyl-5-pentyl methacrylate, >97%2-Propenoic acid, 2-methyl-, 5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl ester1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4-methyl-5-pentyl methacrylate

名称をさらに表示

1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4Chemicalbook-methyl-5-pentylmethacrylate

物性

構造計算による物性

XLogP: 3.7
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 9
回転可能結合数: 6
重原子数: 20
形式電荷: 0
複雑度: 357

物理化学的性質

沸点: 291.3 · 291.3±40.0 °C(Predicted)
比重(密度): 1.302 g/mL · 1.302 g/mL at 25 °C
闪点: 110 ℃ · >110℃
酸解離定数(Pka): 9.56 · 9.56±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.