2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate

• ChemBase编号: 9759
• 分子式: C8H7F7O2
• 平均质量: 268.1288024
• 单一同位素质量: 268.033427
• SMILES: O=C(C(=C)C)OCC(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H7F7O2/c1-4(2)5(16)17-3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3
• InChIKey: VIEHKBXCWMMOOU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate
• IUPAC传统名: 2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate
• 别名: 2,2,3,3,4,4,4-七氟丁基 甲基丙烯酸酯; 2,2,3,3,4,4,4-七氟丁基甲基丙烯酸酯; 1H,1H-Heptafluoro-n-butyl methacrylate; Methacrylic acid 2,2,3,3,4,4,4-heptafluorobutyl ester; HFBMA; 2,2,3,3,4,4,4-Heptafluorobutyl methacrylate; 2,2,3,3,4,4,4-Heptafluorobutyl methacrylate; 1H,1H-Perfluorobutyl methacrylate; 1H,1H-Heptafluorobutyl methacrylate 97%

登记号

• CAS号: 13695-31-3
• EC号: 237-217-7
• MDL号: MFCD00039251
• PubChem SID: 24868094; 160973066
• PubChem CID: 83666

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.6641068
• LogD (pH = 7.4): 3.6641068
• Log P: 3.6641068
• 摩尔折射率: 41.2037 cm^3
• 极化性: 15.527098 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 134-136 °C(lit.); 134-136°C; 134-136°C; 55°C/50mm
• 闪点: 36°C; 36°C(96°F); 37 °C; 98.6 °F
• 密度: 1.345; 1.345 g/mL at 25 °C(lit.)
• 折射率: 1.3407; 1.3420; n20/D 1.341(lit.)

安全信息

• 保存注意事项: Flammable/Lachrymatory/Keep Cold; IRRITANT, LACHRYMATOR, FLAMMABLE
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3272; UN3272
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 10-36/37/38; 20/21/22-36/37
• 安全公开号: 26-28; 26-36
• TSCA收录: true; 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H302-H312-H319-H332-H335; H226-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3

产品相关信息

• 纯度: 97%; 97%, stab. with 20-50 ppm hydroquinone
• 线性分子式: H2C=C(CH3)CO2CH2CF2CF2CF3

详细说明

Apollo Scientific Ltd - PC11102

Stabilised with 20-50 ppm hydroquinone

Apollo Scientific Ltd - PC4412

Inhibited with 50ppm MEHQ

Sigma Aldrich - 444006

包装
1, 5 g in glass bottle