[2-methyl-2-(methylsulfanyl)propylidene]amino N-methylcarbamate

• ChemBase编号: 125671
• 分子式: C7H14N2O2S
• 平均质量: 190.26326
• 单一同位素质量: 190.0775987
• SMILES: O=C(O/N=C/C(SC)(C)C)NC
• Canonical SMILES: CNC(=O)O/N=C/C(SC)(C)C
• InChI: InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)
• InChIKey: QGLZXHRNAYXIBU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-methyl-2-(methylsulfanyl)propylidene]amino N-methylcarbamate; (E)-[2-methyl-2-(methylsulfanyl)propylidene]amino N-methylcarbamate
• IUPAC传统名: aldicarb; temik
• 别名: 涕灭威; 2-甲基-2-(甲硫基)丙醛-O-[(甲基氨基)羰基]肟; Temik; Aldicarb; Aldicarb; O-(Methylcarbamoyl)-2-methyl-2-(methylthio)propionaldehyd-oxime; 2-Methyl-2-(methylthio)propanal O-[(Methylamino)carbonyl]oxime; 2-Methyl-2-(methylthio)propionaldehyde O-(Methylcarbamoyl)oxime; NSC 379586; OMS 771; Temik 10G; Temik G 10; UC 21149

登记号

• CAS号: 116-06-3
• EC号: 204-123-2
• MDL号: MFCD00041807
• Beilstein号: 2209304
• PubChem SID: 162220021; 24860193
• PubChem CID: 9570071
• CHEMBL: 91732
• Chemspider ID: 7844539
• KEGG ID: C11015
• 美国药典/FDA物质标识码: 8V071SH05P
• 维基百科标题: Aldicarb

理论计算性质

• Acid pKa: 14.33155
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.2755873
• LogD (pH = 7.4): 1.2756453
• Log P: 1.2756461
• 摩尔折射率: 49.9523 cm^3
• 极化性: 19.350794 Å^3
• 极化表面积: 50.69 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

• 熔点: 100°C
• 沸点: Decomposes before boiling point
• 闪点: >100 °C; >212 °F
• 密度: 1.195 g/cm3

安全信息

• RTECS编号: UE2275000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2811
• 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): 1
• 危险公开号: 24-26/28-50/53
• 安全公开号: 22-36/37-45-60-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H300-H311-H330-H410
• GHS警示性声明: P260-P264-P273-P280-P284-P301 + P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 1

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C7H14N2O2S

详细说明

Sigma Aldrich - 33386

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - A514650

Aldicarb is used as an insecticide.

参考文献

• Ashby, J., et al.: Environ. Mutagen., 7, 919 (1985)
• Ashby, J., et al.: Mutat. Res., 257, 229 (1985)
• Kazius, J., et al.: J. Med. Chem., 48, 312 (1985)
• Benigni, R., et al.: Mutagenesis, 25, 335 (1985)