Pyrimidine, 2-chloro-5-(1-methylethyl)- supplier

Name
Pyrimidine, 2-chloro-5-(1-methylethyl)- (9CI)
EINECS
CAS No. 596114-50-0
Article Data2
CAS DataBase
Density 1.135 g/cm³
Solubility
Melting Point
Formula C₇H₉ClN₂
Boiling Point 247.7 °C at 760 mmHg
Molecular Weight 156.61
Flash Point 127.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-isopropylpyrimidine;
PSA 25.78000
LogP 2.25340

Pyrimidine, 2-chloro-5-(1-methylethyl)- Specification

The Pyrimidine, 2-chloro-5-(1-methylethyl)-, with the CAS registry number 596114-50-0, belongs to the product category of Pyrimidine. This chemical's molecular formula is C₇H₉ClN₂ and molecular weight is 156.61. What's more, its systematic name is 2-Chloro-5-(1-methylethyl)pyrimidine.

Physical properties about Pyrimidine, 2-chloro-5-(1-methylethyl)- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.51; (6)ACD/BCF (pH 7.4): 11.51; (7)ACD/KOC (pH 5.5): 200.06; (8)ACD/KOC (pH 7.4): 200.06; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 41.51 cm³; (15)Molar Volume: 137.9 cm³; (16)Polarizability: 16.45×10^-24 cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.135 g/cm³; (19)Flash Point: 127.6 °C; (20)Enthalpy of Vaporization: 46.52 kJ/mol; (21)Boiling Point: 247.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0398 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)c1cnc(Cl)nc1
(2) InChI: InChI=1/C7H9ClN2/c1-5(2)6-3-9-7(8)10-4-6/h3-5H,1-2H3
(3) InChIKey: QFLAUXDLHKYUIA-UHFFFAOYAL

Product Name

Pyrimidine, 2-chloro-5-(1-methylethyl)- (9CI)

Pyrimidine, 2-chloro-5-(1-methylethyl)- Specification

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