1H-Pyrazolo[3,4-d]pyrimidine,4,6-dichloro-1,3-dimethyl- supplier

Name
4,6-DICHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE
EINECS
CAS No. 1072895-86-3
Article Data4
CAS DataBase
Density 1.66 g/cm³
Solubility
Melting Point
Formula C₇H₆Cl₂N₄
Boiling Point 301.8 °C at 760 mmHg
Molecular Weight 217.057
Flash Point 136.3 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4,6-dichloro-1,3-dimethylpyrazolo[3,4-d]pyrimidine;
PSA 43.60000
LogP 1.97850

1H-Pyrazolo[3,4-d]pyrimidine,4,6-dichloro-1,3-dimethyl- Specification

This chemical is called 1H-Pyrazolo[3,4-d]pyrimidine,4,6-dichloro-1,3-dimethyl-, and its systematic name is 4,6-dichloro-1,3-dimethyl-pyrazolo[3,4-d]pyrimidine. With the molecular formula of C₇H₆Cl₂N₄, its molecular weight is 217.06. The CAS registry number of this chemical is 1072895-86-3. Additionally, its product categories are Building Blocks; Pyrazolo[x,x-y]pyridine.

Other characteristics of the 1H-Pyrazolo[3,4-d]pyrimidine,4,6-dichloro-1,3-dimethyl- can be summarised as followings: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 43.6 Å²; (9)Index of Refraction: 1.725; (10)Molar Refractivity: 51.65 cm³; (11)Molar Volume: 130 cm³; (12)Polarizability: 20.47×10^-24cm³; (13)Surface Tension: 53.1 dyne/cm; (14)Density: 1.66 g/cm³; (15)Flash Point: 136.3 °C; (16)Enthalpy of Vaporization: 52.03 kJ/mol; (17)Boiling Point: 301.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00185 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1c2c(nc(nc2Cl)Cl)n(n1)C
2.InChI: InChI=1/C7H6Cl2N4/c1-3-4-5(8)10-7(9)11-6(4)13(2)12-3/h1-2H3
3.InChIKey: VBDCTFDIXXYZOO-UHFFFAOYAC

Product Name

4,6-DICHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE

1H-Pyrazolo[3,4-d]pyrimidine,4,6-dichloro-1,3-dimethyl- Specification

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