1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

• ChemBase编号: 18848
• 分子式: C8H2BrF7
• 平均质量: 310.9943024
• 单一同位素质量: 309.9228096
• SMILES: C(c1c(c(c(c(c1F)F)CBr)F)F)(F)(F)F
• Canonical SMILES: BrCc1c(F)c(F)c(c(c1F)F)C(F)(F)F
• InChI: InChI=1S/C8H2BrF7/c9-1-2-4(10)6(12)3(8(14,15)16)7(13)5(2)11/h1H2
• InChIKey: WKPYRDRWTNJBQI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
• IUPAC传统名: 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
• 别名: 1-(溴甲基)-2,3,5,6-四氟-4-(三氟甲基)苯; 4-(三氟甲基)-2,3,5,6-四氟苄基溴; 2,3,5,6-四氟-4-(三氟甲基)苄基溴; 1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene; 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide; 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide; 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide; 4-(Bromomethyl)-2,3,5,6-tetrafluoro-benzotrifluoride

登记号

• CAS号: 76437-40-6
• MDL号: MFCD00191855
• Beilstein号: 8423469
• PubChem SID: 160982155; 24865372
• PubChem CID: 127137

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.194639
• LogD (pH = 7.4): 4.194639
• Log P: 4.194639
• 摩尔折射率: 45.7477 cm^3
• 极化性: 16.382107 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 210.2 °F; 99 °C
• 密度: 1.864; 1.864 g/mL at 25 °C(lit.)
• 折射率: 1.448; n20/D 1.448(lit.)
• 蒸汽压: 0.38 psi ( 20 °C)

安全信息

• 保存注意事项: Harmful/Lachrymatory; IRRITANT, LACHRYMATOR
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3265
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: false
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

产品相关信息

• 纯度: 98%
• 线性分子式: CF3C6F4CH2Br

详细说明

Sigma Aldrich - 406406

包装
1 g in glass bottle