CAS No.54660-78-5,5-AMINO-4-CHLOROPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54660-78-5
Name:	5-AMINO-4-CHLOROPYRIMIDINE
Article Data:	5

Formula:	C₄H₄ClN₃
Molecular Weight:	129.549
Synonyms:	Pyrimidine,5-amino-4-chloro- (6CI);4-chloropyrimidin-5-aminato;4-Chloropyrimidin-5-amine;
Density:	1.437 g/cm³
Melting Point:	110-116℃
Boiling Point:	253.8 °C at 760 mmHg
Flash Point:	107.3 °C
Hazard Symbols:	Xn
Risk Codes:	22-41
Safety:	26-39
PSA:	51.80000
LogP:	1.29340

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Specification

The CAS registry number of 5-Amino-4-chloropyrimidine is 54660-78-5. The systematic name is 4-chloropyrimidin-5-aminato. It belongs to the class of Pyrimidine. In addition, the molecular formula of the chemical is C₄H₄ClN₃ and the molecular weight is 129.55. It should be stored in a cool and dry place.

The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.83; (5)ACD/KOC (pH 7.4): 13.84; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 51.8 Å²; (10)Index of Refraction: 1.617; (11)Molar Refractivity: 31.56 cm³; (12)Molar Volume: 90.1 cm³; (13)Polarizability: 12.51×10^-24cm³; (14)Surface Tension: 66.4 dyne/cm; (15)Density: 1.437 g/cm³; (16)Flash Point: 107.3 °C; (17)Enthalpy of Vaporization: 49.12 kJ/mol; (18)Boiling Point: 253.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0179 mmHg at 25°C.

You can still convert the following datas into the molecular structure:
(1)SMILES: Clc1ncncc1N
(2)InChI: InChI=1/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
(3)InChIKey: LHGMCUVJFRBVBH-UHFFFAOYAR