N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide

• ChemBase编号: 129729
• 分子式: C22H28N2O2
• 平均质量: 352.46992
• 单一同位素质量: 352.21507815
• SMILES: O=C(c1cc(cc(c1)C)C)N(NC(=O)c1ccc(cc1)CC)C(C)(C)C
• Canonical SMILES: CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C
• InChI: InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
• InChIKey: QYPNKSZPJQQLRK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide; N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-ethylbenzohydrazide
• IUPAC传统名: tebufenozide; N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-ethylbenzohydrazide
• 别名: 虫酰肼; Tebufenozide; Mimic; RH-75992, HOE-105540, Confirm 2c; Confirm 70; Tebufenozide; 3,5-Dimethyl-1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide Benzoic Acid; 1-tert-Butyl-1-(3,5-dimethylbenzoyl)-2-(4-ethylbenzoyl)hydrazine; 3,5-Dimethylbenzoic Acid N-tert-Butyl-N-(4-ethylbenzoyl)hydrazide; Confirm; Mimic 240LV; Mimic 700WP; RH 5992; Romdan

登记号

• CAS号: 112410-23-8
• EC号: 412-850-3
• MDL号: MFCD00467963
• Beilstein号: 7822297
• PubChem SID: 24869777; 162224018
• PubChem CID: 91773
• Chemspider ID: 82870
• 维基百科标题: Tebufenozide

理论计算性质

• Acid pKa: 14.127173
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.35108
• LogD (pH = 7.4): 5.3510795
• Log P: 5.35108
• 摩尔折射率: 107.0997 cm^3
• 极化性: 40.08624 Å^3
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: 0.83 mg/L in water
• 熔点: 191-191.5 °C

安全信息

• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N)
• 联合国危险货物编号: 3077
• 德国WGK号: 2
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 51/53
• 安全公开号: 61
• GHS危险品标识: GHS09
• GHS危险声明: H411
• GHS警示性声明: P273
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C22H28N2O2

详细说明

Sigma Aldrich - 31652

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

Sigma Aldrich - 46095

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

Toronto Research Chemicals - T013200

Synthetic nonsteroidal ecdysone agonist causing premature molting; novel insect growth regulator specific to lepidopteran species. Insecticide.

参考文献

• Jordan, T., et al.: Anal. Bioanal. Chem., 394, 2257 (2009)
• Rose, G., et al.: Food Chem., 117, 634 (2009)
• Wang, Ji., et al.: J. Agric. Food Chem., 57, 2162 (2009)
• Vianna, U., et al.: Ecotoxicol., 18, 180 (2009)