1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester supplier

Name
ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate
EINECS 686-742-1
CAS No. 3543-72-4
Article Data3
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point 100-104°C
Formula C₁₄H₁₇N₃O₄
Boiling Point 481 °C at 760 mmHg
Molecular Weight 291.307
Flash Point 244.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester
PSA 89.94000
LogP 2.89050

1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester Specification

The CAS registry number of 1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester is 3543-72-4. In addition, the molecular formula is C₁₄H₁₇N₃O₄ and the molecular weight is 291.30. The IUPAC name is ethyl 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2.73; (3)ACD/LogD (pH 7.4): 2.73; (4)#H bond acceptors: 7; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 89.94 Å²; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 76.5 cm³; (9)Molar Volume: 223.8 cm³; (10)Polarizability: 30.33 ×10^-24cm³; (11)Surface Tension: 49.6 dyne/cm; (12)Density: 1.3 g/cm³; (13)Flash Point: 244.7 °C; (14)Enthalpy of Vaporization: 74.56 kJ/mol; (15)Boiling Point: 481 °C at 760 mmHg; (16)Vapour Pressure: 2.08E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)CCCc1nc2cc(ccc2n1C)[N+](=O)[O-]
(2)Std.InChI: InChI=1S/C14H17N3O4/c1-3-21-14(18)6-4-5-13-15-11-9-10(17(19)20)7-8-12(11)16(13)2/h7-9H,3-6H2,1-2H3
(3)Std.InChIKey: VJVBGSJZBDBEIF-UHFFFAOYSA-N

Product Name

ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate

1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester Specification

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