1-Methyl-1H-imidazole-5-carbonitrile supplier

Name
1-Methyl-1H-imidazole-5-carbonitrile
EINECS
CAS No. 66121-66-2
Article Data6
CAS DataBase
Density 1.12g/cm³
Solubility
Melting Point 55 °C
Formula C₅H₅N₃
Boiling Point 314.1 °C at 760 mmHg
Molecular Weight 107.11
Flash Point 143.8 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 1-Methyl-1H-imidazole-5-carbonitrile;
PSA 41.61000
LogP 0.29178

1-Methyl-1H-imidazole-5-carbonitrile Specification

The 1-Methyl-1H-imidazole-5-carbonitrile with cas registry number of 66121-66-2, has the systematic name of 1-methyl-1H-imidazole-5-carbonitrile. And it is also named 1-Methyl-1H-imidazole-5-carbonitrile 97%. And it hazard note is harmful.

Physical properties about this chemical are: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.77; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.02; (8)ACD/KOC (pH 7.4): 9.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.61 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 31.77 cm³; (15)Molar Volume: 95.5 cm³; (16)Polarizability: 12.59×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Enthalpy of Vaporization: 55.52 kJ/mol; (19)Vapour Pressure: 0.000476 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cncn1C;
(2)InChI: InChI=1/C5H5N3/c1-8-4-7-3-5(8)2-6/h3-4H,1H3;
(3)InChIKey: VRBIIAGKRWHJQE-UHFFFAOYAP;
(4)Std. InChI: InChI=1S/C5H5N3/c1-8-4-7-3-5(8)2-6/h3-4H,1H3;
(5)Std. InChIKey: VRBIIAGKRWHJQE-UHFFFAOYSA-N

Product Name

1-Methyl-1H-imidazole-5-carbonitrile

1-Methyl-1H-imidazole-5-carbonitrile Specification

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