2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide

• ChemBase编号: 125667
• 分子式: C14H20ClNO2
• 平均质量: 269.7671
• 单一同位素质量: 269.11825657
• SMILES: CCc1cccc(c1N(COC)C(=O)CCl)CC
• Canonical SMILES: COCN(c1c(CC)cccc1CC)C(=O)CCl
• InChI: InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
• InChIKey: XCSGPAVHZFQHGE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
• IUPAC传统名: LAZO
• 别名: 2-氯-2′,6′-二乙基-N-(甲氧甲基)乙酰苯胺; 甲草胺; 草不绿 溶液; Alachlor; 2-Chloro-2′,6′-diethyl-N-(methoxymethyl)acetanilide; Alachlor; 2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide; 2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide; 2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide; 2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide; Alanex; Alapaz; CP 50144; Intrro; Lasagrin; Lasso; Lasso Microtech; Lazo; Metachlor; Methachlor; Micro-Tech; Nitala; Perfect; Satochlor; Alachlor solution

登记号

• CAS号: 15972-60-8
• EC号: 240-110-8
• MDL号: MFCD00041817
• Beilstein号: 2944476
• PubChem SID: 24865711; 24868764; 162220017; 24869440; 24899194; 24871866
• PubChem CID: 2078
• CHEBI ID: 2533
• Chemspider ID: 1994
• KEGG ID: C10928
• 美国药典/FDA物质标识码: 24S2S61PXL
• 维基百科标题: Alachlor

理论计算性质

• Acid pKa: 16.603388
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.5914717
• LogD (pH = 7.4): 3.5914717
• Log P: 3.5914717
• 摩尔折射率: 73.9275 cm^3
• 极化性: 28.619024 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: -.4 °F; -18 °C

安全信息

• RTECS编号: AE1225000
• 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: 1145; 1230; 3077
• 德国WGK号: 1; 2; 3
• 联合国危险货物等级: 3; 9
• 联合国危险货物包装类别(PG): 2; 3
• 危险公开号: 11-38-50/53-65-67; 22-40-43-50/53; 23/24/25-39/23/24/25-51/53; 23/24/25-39/23/24/25-52/53
• 安全公开号: 16-61-62; 36/37-45-61; 36/37-46-60-61
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H304-H315-H336-H410; H301-H311-H331-H370; H301-H311-H331-H370-H412; H302-H317-H351-H410
• GHS警示性声明: P210-P261-P273-P301 + P310-P331-P501; P260-P273-P280-P301 + P310-P311; P260-P280-P301 + P310-P311; P273-P280-P501
• 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; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1145 3/PG 2; UN 1230 3/PG 2; UN 3077 9/PG 3
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 ng/μL in cyclohexane; 1000 μg/mL in methanol; 200 μg/mL in methanol
• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 1 mL; ampule of 250 mg
• Empirical Formula (Hill Notation): C14H20ClNO2

详细说明

Sigma Aldrich - 45316

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

Sigma Aldrich - 45821

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

Toronto Research Chemicals - A450800

Pre-emergence herbicide.

参考文献

• Merkle, M.G., et al.: Weed Sci., 19, 652 (1971)