1,2-dimethyl-5-nitro-1H-imidazole

• ChemBase编号: 120766
• 分子式: C5H7N3O2
• 平均质量: 141.12798
• 单一同位素质量: 141.05382648
• SMILES: c1(n(c(nc1)C)C)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cnc(n1C)C
• InChI: InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3
• InChIKey: IBXPYPUJPLLOIN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-dimethyl-5-nitro-1H-imidazole
• IUPAC传统名: dimetridazole
• 别名: 1,2-二甲基-5-硝基咪唑; 1,2-二甲基-5-硝基咪唑; 二甲硝咪唑; Dimetridazole; 1,2-Dimethyl-5-nitroimidazole; 1,2-dimethyl-5-nitro-1H-imidazole; Dimetridazole; 1,2-Dimethyl-5-nitroimidazole; Dimetridazole; 1,2-Dimethyl-5-nitroimidazole

登记号

• CAS号: 551-92-8
• EC号: 209-001-2
• MDL号: MFCD00047046
• Beilstein号: 130665
• 默克索引号: 143265
• PubChem SID: 24893809; 162215119; 24869956
• PubChem CID: 3090
• ATC码: QP51AA07
• CHEMBL: 38938
• Chemspider ID: 2980
• KEGG ID: D07855
• 美国药典/FDA物质标识码: K59P7XNB8X
• 维基百科标题: Dimetridazole

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.23026586
• LogD (pH = 7.4): 0.23078516
• Log P: 0.23079179
• 摩尔折射率: 33.924 cm^3
• 极化性: 12.659278 Å^3
• 极化表面积: 60.96 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 136-138°C

安全信息

• RTECS编号: NI5075000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 68
• 安全公开号: 26-36; 36/37
• TSCA收录: 否
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H341
• GHS警示性声明: P261-P305 + P351 + P338; P281-P201-P202-P308+P313-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: 97%
• 级别: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C5H7N3O2

详细说明

Sigma Aldrich - D4025

Application
Dimetridazole has been used in the treatment and prevention of blackhead, a life-threatening disease in turkeys1. It is a potential antimicrobial agent against Campylobacter spp. from pigs2. It has been used to study antitrichomonad action on Tritrichomonas foetus3. Dimetridazole is used to study mechanisms of anti-protozoan nitroimidazole drugs.
Dimetridazole is used to study mechanisms of anti-protozoan nitroimidazole drugs.

Sigma Aldrich - 31707

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 46224

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC