Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Chloro-4-methylquinoline-3-carbonitrile |
EINECS | N/A |
CAS No. | 101617-94-1 | Density | 1.31 g/cm3 |
PSA | 36.68000 | LogP | 3.06828 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H7ClN2 | Boiling Point | 380.7 °C at 760 mmHg |
Molecular Weight | 202.643 | Flash Point | 184 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Chloro-4-methylquinoline-3-carbonitrile; |
Article Data | 4 |
The CAS registry number of 3-Quinolinecarbonitrile,2-chloro-4-methyl- is 101617-94-1. This chemical's molecular formula is C11H7ClN2 and molecular weight is 202.64. What's more, its systematic name is called 2-Chloro-4-methylquinoline-3-carbonitrile. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Quinolinecarbonitrile,2-chloro-4-methyl- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.92; (6)ACD/BCF (pH 7.4): 57.92; (7)ACD/KOC (pH 5.5): 635.97; (8)ACD/KOC (pH 7.4): 635.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 56.12 cm3; (15)Molar Volume: 154.3 cm3; (16)Surface Tension: 59.6 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 184 °C; (19)Enthalpy of Vaporization: 62.89 kJ/mol; (20)Boiling Point: 380.7 °C at 760 mmHg; (21)Vapour Pressure: 5.35E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(c2ccccc2nc1Cl)C
(2) InChI: InChI=1/C11H7ClN2/c1-7-8-4-2-3-5-10(8)14-11(12)9(7)6-13/h2-5H,1H3
(3) InChIKey: UTBTZPFJZNOSLP-UHFFFAOYAG