1H-Imidazole-2-methanol,a,a,1-trimethyl-5-nitro- supplier

Name
2-(1-METHYL-5-NITRO-1H-IMIDAZOL-2-YL)-PROPAN-2-OL
EINECS
CAS No. 35175-14-5
Article Data3
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point 108-110°C
Formula C₇H₁₁N₃O₃
Boiling Point 367.7 °C at 760 mmHg
Molecular Weight 185.183
Flash Point 176.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,a,a-Trimethyl-5-nitroimidiazole-2-methanol;2-(1-Hydroxy-1-methylethyl)-1-methyl-5-nitroimidazole;Hydroxyipronidazole;L12407;
PSA 83.87000
LogP 1.07890

1H-Imidazole-2-methanol,a,a,1-trimethyl-5-nitro- Specification

The 1H-Imidazole-2-methanol,a,a,1-trimethyl-5-nitro-, with the CAS registry number 35175-14-5, is also known as Hydroxyipronidazole. This chemical's molecular formula is C₇H₁₁N₃O₃ and molecular weight is 185.18. What's more, its systematic name is 2-(1-Methyl-5-nitro-1H-imidazol-2-yl)propan-2-ol.

Physical properties about 1H-Imidazole-2-methanol,a,a,1-trimethyl-5-nitro-: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.89; (8)ACD/KOC (pH 7.4): 30.91; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.87 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 45.75 cm³; (15)Molar Volume: 137.6 cm³; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.34 g/cm³; (18)Flash Point: 176.2 °C; (19)Enthalpy of Vaporization: 64.81 kJ/mol; (20)Boiling Point: 367.7 °C at 760 mmHg; (21)Vapour Pressure: 4.69E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cnc(n1C)C(O)(C)C
(2) InChI: InChI=1/C7H11N3O3/c1-7(2,11)6-8-4-5(9(6)3)10(12)13/h4,11H,1-3H3
(3) InChIKey: DTHPMNDYKOSVFR-UHFFFAOYAG

Product Name

2-(1-METHYL-5-NITRO-1H-IMIDAZOL-2-YL)-PROPAN-2-OL

1H-Imidazole-2-methanol,a,a,1-trimethyl-5-nitro- Specification

Related Products

Hot Products