邻氯亚苄基丙二腈

• 常用名: 邻氯亚苄基丙二腈
• 英文名: CS gas
• CAS号: 2698-41-1
• 分子量: 188.613
• 密度: 1.3±0.1 g/cm3
• 沸点: 312.5±0.0 °C at 760 mmHg
• 分子式: C₁₀H₅ClN₂
• 熔点: 95ºC
• 闪点: 148.0±18.0 °C

邻氯亚苄基丙二腈名称

• 中文名: 2-氯苯亚甲基丙二腈
• 英文名: 2-[(2-chlorophenyl)methylidene]propanedinitrile
• 中文别名: 邻氯苄叉缩丙二腈

邻氯亚苄基丙二腈物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 312.5±0.0 °C at 760 mmHg
• 熔点: 95ºC
• 分子式: C₁₀H₅ClN₂
• 分子量: 188.613
• 闪点: 148.0±18.0 °C
• 精确质量: 188.014130
• PSA: 47.58000
• LogP: 2.35
• InChIKey: JJNZXLAFIPKXIG-UHFFFAOYSA-N
• SMILES: N#CC(C#N)=Cc1ccccc1Cl
• 外观性状: 白色结晶固体带有一种辛辣的气味
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.624
• 储存条件: 库房低温通风干燥,与食品原料,氧化剂分开存放,专人管理
• 稳定性: Stable. Incompatible with strong oxidizing agents. Combustible.
• 水溶解性: 0.1-0.5 g/100 mL at 16 ºC
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积:47.6

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:283

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

邻氯亚苄基丙二腈MSDS

邻氯亚苄基丙二腈MSDS英文版

邻氯亚苄基丙二腈毒性和生态

邻氯亚苄基丙二腈安全信息

• 危害码 (欧洲): T:Toxic;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-27-37/39-45-36/37/39
• 危险品运输编码: UN 2647
• WGK德国: 3
• RTECS号: OO3675000
• 包装等级: I
• 危险类别: 6.1(a)
• 海关编码: 2926909090

邻氯亚苄基丙二腈海关

• 海关编码: 2926909090
• 中文概述: 2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

邻氯亚苄基丙二腈靶点实验

查看更多实验

实验名称：Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL4513082

实验名称：NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L... 来源：DTP/NCI 靶标：N/A External Id：MCF7_OneDose

实验名称：Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as concentra... 来源：ChEMBL 靶标：Transient receptor potential cation channel subfamily A member 1 External Id：CHEMBL1259373

实验名称：Human TRPA1 (Transient Receptor Potential channels) 来源：IUPHAR-DB 靶标：TRPA1 (Transient Receptor Potential channels) [Homo sapiens] External Id：485_Human

实验名称：Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as threshold... 来源：ChEMBL 靶标：Transient receptor potential cation channel subfamily A member 1 External Id：CHEMBL1259372

实验名称：Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase ... 来源：ChEMBL 靶标：Transient receptor potential cation channel subfamily A member 1 External Id：CHEMBL1259371

实验名称：SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f... 来源：ChEMBL 靶标：Replicase polyprotein 1ab External Id：CHEMBL4495582

实验名称：Carcinogenesis bioassays from the Carcinogenic Potency Database (CPDB) 来源：25294 靶标：N/A External Id：cpdb

实验名称：HIV Cellular Data 来源：NIAID 靶标：N/A External Id：HIV Cellular Data

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邻氯亚苄基丙二腈英文别名

• (2-chlorobenzylidene)propanedinitrile
• β,β-Dicyano-o-chlorostyrene
• 2-Chlorobenzylidenemalononitrile
• o-Chlorobenzalmalononitrile
• ortho-chlorophenylmethylene-malononitrile
• EINECS 220-278-9
• [(2-chlorophenyl)methylidene]propanedinitrile
• b,b-Dicyano-o-chlorostyrene
• o-Chlorobenzylidenemalonic nitrile
• Alonitrile
• [(2-Chlorophenyl)methylene]malononitrile
• (2-Chlorobenzylidene)malononitrile
• 2-chlorobenzalmalononitrile
• MFCD00134407
• 2-(2-chlorophenylmethylene)malononitrile
• CS (lacrimator)
• ortho-chlorobenzalmalononitrile
• Propanedinitrile, [(2-chlorophenyl)methylene]
• 2-(2-chlorophenyl)-1,1-dicyanoethylene
• 2-(2-Chlorobenzylidene)malononitrile
• [(2-Chlorophenyl)methylene]propanedinitrile
• (o-Chlorobenzylidene)malononitrile
• 2-Chlorobmn