2-Methyl-5-nitro-1H-imidazole-1-ethyl methanesulfonate supplier

Name
2-methyl-5-nitro-1H-imidazole-1-ethyl methanesulphonate
EINECS 250-323-8
CAS No. 30746-54-4
Article Data14
CAS DataBase
Density 1.53 g/cm³
Solubility
Melting Point
Formula C₇H₁₁N₃O₅S
Boiling Point 522.6 °C at 760 mmHg
Molecular Weight 249.247
Flash Point 269.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole-1-ethanol,2-methyl-5-nitro-, methanesulfonate (ester) (9CI);Imidazole-1-ethanol, 2-methyl-5-nitro-,methanesulfonate (ester) (8CI);2-(2-Methyl-5-nitro-1-imidazolyl)ethylmethanesulfonate;My 40.20;
PSA 115.39000
LogP 1.67990

2-Methyl-5-nitro-1H-imidazole-1-ethyl methanesulfonate Specification

The cas register number of 2-Methyl-5-nitro-1H-imidazole-1-ethyl methanesulfonate is 30746-54-4. It also can be called as 1H-Imidazole-1-ethanol,2-methyl-5-nitro-, 1-methanesulfonate and the IUPAC Name about this chemical is 2-(2-methyl-5-nitroimidazol-1-yl)ethyl methanesulfonate.

Physical properties about 2-Methyl-5-nitro-1H-imidazole-1-ethyl methanesulfonate are: (1)ACD/LogP: -0.17; (2)ACD/LogD (pH 5.5): -0.17; (3)ACD/LogD (pH 7.4): -0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.3; (7)ACD/KOC (pH 7.4): 19.31; (8)#H bond acceptors: 8; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 115.39Å²; (11)Index of Refraction: 1.6; (12)Molar Refractivity: 55.69 cm³; (13)Molar Volume: 162.7 cm³; (14)Polarizability: 22.07x10^-24cm³; (15)Surface Tension: 60.7 dyne/cm; (16)Enthalpy of Vaporization: 76.61 kJ/mol; (17)Vapour Pressure: 1.69E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnc(n1CCOS(=O)(=O)C)C
(2)InChI: InChI=1/C7H11N3O5S/c1-6-8-5-7(10(11)12)9(6)3-4-15-16(2,13)14/h5H,3-4H2,1-2H3
(3)InChIKey: MBLJZGSJLSUHRO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H11N3O5S/c1-6-8-5-7(10(11)12)9(6)3-4-15-16(2,13)14/h5H,3-4H2,1-2H3
(5)Std. InChIKey: MBLJZGSJLSUHRO-UHFFFAOYSA-N

Product Name

2-methyl-5-nitro-1H-imidazole-1-ethyl methanesulphonate

2-Methyl-5-nitro-1H-imidazole-1-ethyl methanesulfonate Specification

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