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5-Amino-2-chloropyrimidine

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Name

5-Amino-2-chloropyrimidine

EINECS N/A
CAS No. 56621-90-0 Density 1.437 g/cm3
PSA 51.80000 LogP 1.29340
Solubility N/A Melting Point 198-199℃
Formula C4H4ClN3 Boiling Point 338.8 °C at 760 mmHg
Molecular Weight 129.549 Flash Point 158.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-22 Risk Codes 22-36-36/37/38
Molecular Structure Molecular Structure of 56621-90-0 (5-Amino-2-chloropyrimidine) Hazard Symbols Xn
Synonyms

2-Chloro-5-pyrimidinamine;2-Chloropyrimidin-5-amine;

Article Data 16

5-Amino-2-chloropyrimidine Specification

The CAS registry number of 5-Amino-2-chloropyrimidine is 56621-90-0. The IUPAC name is 2-chloropyrimidin-5-amine. In addition, the molecular formula is C4H4ClN3 and the molecular weight is 129.55. What's more, it belongs to the classes of Amines; Pyrimidines & Pyridazines; Building Blocks. And it should be stored in a cool and dry place.

Physical properties about 5-Amino-2-chloropyrimidine are: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.13; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.96; (7)ACD/KOC (pH 7.4): 27.97; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 51.8 Å2; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 31.56 cm3; (14)Molar Volume: 90.1 cm3; (15)Polarizability: 12.51 ×10-24cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Density: 1.437 g/cm3; (18)Flash Point: 158.7 °C; (19)Enthalpy of Vaporization: 58.22 kJ/mol; (20)Boiling Point: 338.8 °C at 760 mmHg; (21)Vapour Pressure: 9.59E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cnc(Cl)nc1
(2)InChI: InChI=1/C4H4ClN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2
(3)InChIKey: DZBKIOJXVOECRA-UHFFFAOYAE

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