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

• ChemBase ID: 120766
• Molecular Formular: C5H7N3O2
• Molecular Mass: 141.12798
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethyl-5-nitro-1H-imidazole
• IUPAC Traditional name: dimetridazole
• Synonyms: 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; 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

Database IDs

• CAS Number: 551-92-8
• EC Number: 209-001-2
• MDL Number: MFCD00047046
• Beilstein Number: 130665
• Merck Index: 143265
• PubChem SID: 24893809; 162215119; 24869956
• PubChem CID: 3090
• ATC CODE: QP51AA07
• CHEMBL: 38938
• Chemspider ID: 2980
• KEGG ID: D07855
• Unique Ingredient Identifier: K59P7XNB8X
• Wikipedia Title: Dimetridazole

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.23026586
• LogD (pH = 7.4): 0.23078516
• Log P: 0.23079179
• Molar Refractivity: 33.924 cm^3
• Polarizability: 12.659278 Å^3
• Polar Surface Area: 60.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-138°C

Safety Information

• RTECS: NI5075000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 68
• Safety Statements: 26-36; 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H341
• GHS Precautionary statements: P261-P305 + P351 + P338; P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

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

DETAILS

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

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 46224

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC