2,5-Dimethyl-1H-pyrrole-3-carbonitrile supplier

Name
1H-Pyrrole-3-carbonitrile,2,5-dimethyl-(9CI)
EINECS
CAS No. 26187-29-1
Article Data9
CAS DataBase
Density 1.07 g/cm³
Solubility
Melting Point 89-90 °C
Formula C₇H₈N₂
Boiling Point 273.6 °C at 760 mmHg
Molecular Weight 120.154
Flash Point 103.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrrole-3-carbonitrile,2,5-dimethyl- (6CI,7CI,8CI);2,5-Dimethyl-1H-pyrrole-3-carbonitrile;
PSA 39.58000
LogP 1.50318

2,5-Dimethyl-1H-pyrrole-3-carbonitrile Specification

The 2,5-Dimethyl-1H-pyrrole-3-carbonitrile with the cas number 26187-29-1 is also called 1H-Pyrrole-3-carbonitrile,2,5-dimethyl-. Its molecular formula is C₇H₈N₂. The product's category is PYRROLIDINE. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.51; (6)ACD/BCF (pH 7.4): 23.51; (7)ACD/KOC (pH 5.5): 333.52; (8)ACD/KOC (pH 7.4): 333.52; (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: 1.529; (14)Molar Refractivity: 34.49 cm³; (15)Molar Volume: 111.6 cm³; (16)Polarizability: 13.67×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Enthalpy of Vaporization: 51.2 kJ/mol; (19)Vapour Pressure: 0.00568 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(nc(c1)C)C
(2)InChI: InChI=1/C7H8N2/c1-5-3-7(4-8)6(2)9-5/h3,9H,1-2H3
(3)InChIKey: BZSMKTGDBPDVAR-UHFFFAOYAU

Product Name

1H-Pyrrole-3-carbonitrile,2,5-dimethyl-(9CI)

2,5-Dimethyl-1H-pyrrole-3-carbonitrile Specification

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