tridecafluoroheptanoyl chloride

• ChemBase编号: 93560
• 分子式: C7ClF13O
• 平均质量: 382.5065416
• 单一同位素质量: 381.94300916
• SMILES: O=C(C(C(F)(F)C(F)(C(F)(F)C(C(F)(F)F)(F)F)F)(F)F)Cl
• Canonical SMILES: ClC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7ClF13O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
• InChIKey: IAHVCTQMGIVZJU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tridecafluoroheptanoyl chloride
• IUPAC传统名: tridecafluoroheptanoyl chloride
• 别名: 全氟庚酰氯; 十三氟庚酰氯; Tridecafluoroheptanoyl chloride; 1-(Chlorocarbonyl)perfluorohexane; Perfluoroheptanoyl chloride; Perfluoroheptanoyl chloride; Tridecafluoroheptanoyl chloride

登记号

• CAS号: 52447-22-0
• MDL号: MFCD00156013
• PubChem SID: 162080245; 24885102
• PubChem CID: 2782569

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.945526
• LogD (pH = 7.4): 4.945526
• Log P: 4.945526
• 摩尔折射率: 40.8524 cm^3
• 极化性: 16.094738 Å^3
• 极化表面积: 17.07 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: 106-107°C
• 密度: 1.728; 1.728 g/mL at 20 °C(lit.)

安全信息

• 保存注意事项: Corrosive/Harmful/Moisture Sensitive/Store under Argon/Keep Cold
• 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): 3
• 危险公开号: 22-34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-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 3

产品相关信息

• 纯度: ≥97.0%
• Empirical Formula (Hill Notation): C7ClF13O

详细说明

Sigma Aldrich - 67162

包装
1 g in poly tube
5 g in poly bottle