1H-Indole-3-carbonitrile,2-methyl- supplier

Name
3-CYANO-2-METHYLINDOLE
EINECS
CAS No. 51072-83-4
Article Data32
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂
Boiling Point 355 °C at 760 mmHg
Molecular Weight 156.18
Flash Point 123.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methylindole-3-carbonitrile;2-Methyl-1H-indole-3-carbonitrile;3-Cyano-2-methylindole;
PSA 39.58000
LogP 2.34798

1H-Indole-3-carbonitrile,2-methyl- Specification

The 1H-Indole-3-carbonitrile,2-methyl-, with the CAS registry number 51072-83-4, is also known as 3-Cyano-2-methylindole. It belongs to the product category of Indole. This chemical's molecular formula is C₁₀H₈N₂ and molecular weight is 156.18. What's more, its IUPAC name is 2-methyl-1H-indole-3-carbonitrile.

Physical properties of 1H-Indole-3-carbonitrile,2-methyl- are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.24; (6)ACD/BCF (pH 7.4): 76.24; (7)ACD/KOC (pH 5.5): 774.25; (8)ACD/KOC (pH 7.4): 774.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.72 Å²; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 47.42 cm³; (15)Molar Volume: 129.9 cm³; (16)Polarizability: 18.8×10^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 123.1 °C; (20)Enthalpy of Vaporization: 60.02 kJ/mol; (21)Boiling Point: 355 °C at 760 mmHg; (22)Vapour Pressure: 3.21E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c1ccccc1nc2C
(2)Std. InChI: InChI=1S/C10H8N2/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-5,12H,1H3
(3)Std. InChIKey: ZFFATLKERBHVHQ-UHFFFAOYSA-N

Product Name

3-CYANO-2-METHYLINDOLE

1H-Indole-3-carbonitrile,2-methyl- Specification

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