2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile

• ChemBase编号: 156615
• 分子式: C9H13ClN6
• 平均质量: 240.69272
• 单一同位素质量: 240.08902213
• SMILES: CCNc1nc(nc(n1)Cl)NC(C)(C)C#N
• Canonical SMILES: CCNc1nc(nc(n1)Cl)NC(C#N)(C)C
• InChI: InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)
• InChIKey: MZZBPDKVEFVLFF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile
• IUPAC传统名: cyanazine
• 别名: 草净津; 草净津 溶液; Cyanazine; Cyanazine solution; 2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile; 2-Chloro-4-ethylamino-6-(α,α-dimethylcyanomethyl)amino-1,3,5-triazine; 2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile; Bladex; Bladex 50WP; Bladex 80WP; Cyanazin; DW 3418; Fortrol; Gramex; SD 15418; WL 19805; Cyanazine

登记号

• CAS号: 21725-46-2
• EC号: 200-835-2; 244-544-9
• MDL号: MFCD00055514
• Beilstein号: 615509
• PubChem SID: 24869450; 24867888; 162250752; 24868879; 24872148
• PubChem CID: 30773

理论计算性质

• Acid pKa: 14.437714
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 1.9616804
• LogD (pH = 7.4): 1.9616809
• Log P: 1.9616809
• 摩尔折射率: 67.3195 cm^3
• 极化性: 22.912794 Å^3
• 极化表面积: 86.52 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 100 °C; 2 °C; 212 °F; 35.6 °F

安全信息

• RTECS编号: UG1490000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1230; 1648; 2811
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 2; 3
• 危险公开号: 11-20/21/22-36; 22-50/53; 23/24/25-39/23/24/25-52/53
• 安全公开号: 16-36/37; 36/37-45-61; 37-60-61
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H302-H312-H319-H332; H301-H311-H331-H370-H412; H302-H410
• GHS警示性声明: P210-P280-P305 + P351 + P338; P260-P273-P280-P301 + P310-P311; P273-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2; UN 1648 3/PG 2; UN 2811 6.1/PG 3
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 ng/μL in acetonitrile; 2000 μg/mL in methanol
• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 1 mL; ampule of 100 mg
• 适用性: suitable for 508 per US EPA; suitable for 508.1 per US EPA; suitable for 508A per US EPA; suitable for 629 per US EPA
• 特征: standard type calibration
• Empirical Formula (Hill Notation): C9H13ClN6

详细说明

Sigma Aldrich - 45407

General description
用于 Supelco MIP SPE 柱的标准品欲知更多信息，请索取 Supelco 资料 T407075、T706023
法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 45834

General description
用于 Supelco MIP SPE 柱的标准品欲知更多信息，请索取 Supelco 资料 T407075、T706023
法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - C953500

Selective pre-emergence herbicide.

参考文献

• Crayford, J.V., et al.: Pestic. Biochem. Physiol., 2, 295 (1975)