piperidine-1-carbonyl chloride

• ChemBase编号: 151333
• 分子式: C6H10ClNO
• 平均质量: 147.6027
• 单一同位素质量: 147.04509163
• SMILES: C1CCN(CC1)C(=O)Cl
• Canonical SMILES: ClC(=O)N1CCCCC1
• InChI: InChI=1S/C6H10ClNO/c7-6(9)8-4-2-1-3-5-8/h1-5H2
• InChIKey: BIFDXOOJPDHKJH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: piperidine-1-carbonyl chloride
• IUPAC传统名: piperidine-1-carbonyl chloride
• 别名: 1-哌啶酰氯; N-Chloroformylpiperidine; NSC 50227; 1-Piperidinecarbonyl chloride

登记号

• CAS号: 13939-69-0
• MDL号: MFCD00973554
• PubChem SID: 24874029; 162245488
• PubChem CID: 242085

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.2741567
• LogD (pH = 7.4): 1.2741567
• Log P: 1.2741567
• 摩尔折射率: 37.1143 cm^3
• 极化性: 14.176824 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 242 °C(lit.)
• 闪点: 110 °C; 230 °F
• 密度: 1.18 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.459(lit.)

安全信息

• 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: 34
• 安全公开号: 26-27-36/37/39-45
• 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 3

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C6H10ClNO

详细说明

Sigma Aldrich - 518522

包装
5 g in glass bottle
Application
Reactant for synthesis of: A coumarin-based HIV-1 Vpr inhibitor1 Antitumor agents as potent chemosensitizers2 Oxime carbamates as reversible inhibitors of fatty acid amide hydrolase3 Dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes4 Bisarylmaleimide glycogen synthase kinase-3 inhibitors5 Lysosomal acid lipase inhibitors and potential Niemann-Pick type C disease therapeutics6