heptadecafluorononanoyl chloride

• ChemBase编号: 8779
• 分子式: C9ClF17O
• 平均质量: 482.5215544
• 单一同位素质量: 481.93662204
• SMILES: C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: ClC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9ClF17O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27
• InChIKey: MPWXHQITWLFMQM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: heptadecafluorononanoyl chloride
• IUPAC传统名: heptadecafluorononanoyl chloride
• 别名: 全氟壬酰氯; 十七氟壬酰氯; Perfluorononanoyl chloride; Perfluorononanoyl chloride 98%; Perfluorononanoyl chloride; Heptadecafluorononanoyl chloride

登记号

• CAS号: 52447-23-1
• MDL号: MFCD00153255
• PubChem SID: 24877586; 160972086
• PubChem CID: 2776252

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.346812
• LogD (pH = 7.4): 6.346812
• Log P: 6.346812
• 摩尔折射率: 50.1884 cm^3
• 极化性: 19.924643 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 69-70°C/47mm
• 闪点: none°C

安全信息

• 保存注意事项: CORROSIVE; Corrosive
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2810
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-36/37/38
• 安全公开号: 26
• TSCA收录: false
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335
• GHS警示性声明: P261-P301 + P310-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 2810 6.1/PG 3

产品相关信息

• 纯度: ≥98.0%; 98%
• Empirical Formula (Hill Notation): C9ClF17O

详细说明

Sigma Aldrich - 52846

包装
1 g in glass bottle