6-Chloro-1H-pyrazolo[3,4-d]pyrimidine supplier

Name
6-Chloro-1H-pyrazolo[3,4-d]pyrimidine
EINECS
CAS No. 23002-51-9
Article Data6
CAS DataBase
Density 1.653 g/cm³
Solubility
Melting Point
Formula C₅H₃ClN₄
Boiling Point 287.9±23.0 °C(Predicted)
Molecular Weight 154.559
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazolo[3,4-d]pyrimidine, 6-chloro-;
PSA 54.46000
LogP 1.00630

6-Chloro-1H-pyrazolo[3,4-d]pyrimidine Specification

The CAS registry number of 6-Chloro-1H-pyrazolo[3,4-d]pyrimidine is 23002-51-9. This product is an organic compound with the formula C₅H₃ClN₄. The IUPAC name of this chemical is 6-chloro-1H-pyrazolo[3,4-d]pyrimidine. It is also named as 1H-Pyrazolo[3,4-d]pyrimidine, 6-chloro-. In addition, the molecular weight is 154.56.

Physical properties about this chemical are: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.742; (4)ACD/BCF (pH 5.5): 2.095; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 57.081; (7)ACD/KOC (pH 7.4): 6.225; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Index of Refraction: 1.74; (12)Molar Refractivity: 37.697 cm³; (13)Molar Volume: 93.494 cm³; (14)Surface Tension: 91.328 dyne/cm; (15)Density: 1.653 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2cn[nH]c2nc(n1)Cl
(2)InChI: InChI=1/C5H3ClN4/c6-5-7-1-3-2-8-10-4(3)9-5/h1-2H,(H,7,8,9,10)
(3)InChIKey: CZAPPYRAFCOFOL-UHFFFAOYAA

Product Name

6-Chloro-1H-pyrazolo[3,4-d]pyrimidine

6-Chloro-1H-pyrazolo[3,4-d]pyrimidine Specification

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