CAS No.923282-39-7,7-chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	923282-39-7
Name:	7-chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine
Article Data:	2

Formula:	C₆H₅ClN₄
Molecular Weight:	168.585
Synonyms:	7-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine, 7-chloro-1-methyl-;
Density:	1.59 g/cm³
Boiling Point:	294.6 °C at 760 mmHg
Flash Point:	132 °C
PSA:	43.60000
LogP:	1.01670

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Specification

The 1H-Pyrazolo[4,3-d]pyrimidine,7-chloro-1-methyl-, with the CAS registry number 923282-39-7, has the systematic name of 7-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₅ClN₄.

The characteristics of 1H-Pyrazolo[4,3-d]pyrimidine,7-chloro-1-methyl- are as followings: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.23; (8)ACD/KOC (pH 7.4): 29.23; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 42.62 cm³; (15)Molar Volume: 105.3 cm³; (16)Polarizability: 16.89×10^-24cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.59 g/cm³; (19)Flash Point: 132 °C; (20)Enthalpy of Vaporization: 51.29 kJ/mol; (21)Boiling Point: 294.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00282 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cn1c2c(cn1)ncnc2Cl
(2)InChI: InChI=1/C6H5ClN4/c1-11-5-4(2-10-11)8-3-9-6(5)7/h2-3H,1H3
(3)InChIKey: SNAXHGFEBGMQMG-UHFFFAOYAE