Pyrimidine, 4-chloro-6-(1H-pyrazol-1-yl)- supplier

Name
4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine
EINECS
CAS No. 114833-95-3
Article Data7
CAS DataBase
Density 1.475 g/cm³
Solubility
Melting Point 128-129 °C(Solv: hexane (110-54-3))
Formula C₇H₅ClN₄
Boiling Point 324.048 °C at 760 mmHg
Molecular Weight 180.596
Flash Point 149.779 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-6-(1-pyrazolyl)pyrimidine;4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine;
PSA 43.60000
LogP 1.31570

Pyrimidine, 4-chloro-6-(1H-pyrazol-1-yl)- Specification

This chemical is called Pyrimidine, 4-chloro-6-(1H-pyrazol-1-yl)-, and its systematic name is 4-chloro-6-(1H-pyrazol-1-yl)pyrimidine. With the molecular formula of C₇H₅ClN₄, its molecular weight is 180.59. The CAS registry number of this chemical is 114833-95-3. Additionally, its product categories are Blocks; Imidazoles; Pyridines.

Other characteristics of the Pyrimidine, 4-chloro-6-(1H-pyrazol-1-yl)- can be summarised as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 132; (8)ACD/KOC (pH 7.4): 132; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 47.423 cm³; (15)Molar Volume: 122.396 cm³; (16)Polarizability: 18.8×10^-24cm³; (17)Surface Tension: 57.658 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 149.779 °C; (20)Enthalpy of Vaporization: 54.354 kJ/mol; (21)Boiling Point: 324.048 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ncnc(c1)n2nccc2
2.InChI: InChI=1/C7H5ClN4/c8-6-4-7(10-5-9-6)12-3-1-2-11-12/h1-5H
3.InChIKey: HDRFFLHBLUPAKE-UHFFFAOYAF

Product Name

4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine

Pyrimidine, 4-chloro-6-(1H-pyrazol-1-yl)- Specification

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