CAS No.1439-10-7,5-BROMOPYRIMIDIN-4-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1439-10-7
Name:	5-BROMOPYRIMIDIN-4-AMINE
Article Data:	9

Formula:	C₄H₄BrN₃
Molecular Weight:	174
Synonyms:	Pyrimidine,4-amino-5-bromo- (7CI,8CI);5-bromopyrimidin-4-amine;4-pyrimidinamine, 5-bromo-;
Density:	1.844 g/cm³
Melting Point:	207-211℃
Boiling Point:	282.18 °C at 760 mmHg
Flash Point:	124.458 °C
Solubility:	Slightly soluble in water.
PSA:	51.80000
LogP:	1.40250

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Specification

The 4-Amino-5-bromopyrimidine, with the CAS registry number 1439-10-7, has the systematic name of 5-bromopyrimidin-4-amine. It belongs to the product category of Pyrimidine series, and the molecular formula of this chemical is C₄H₄BrN₃.

The physical properties of 4-Amino-5-bromopyrimidine are as following: (1)ACD/LogP: 0.78; (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): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 103; (8)ACD/KOC (pH 7.4): 111; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 34.362 cm³; (15)Molar Volume: 94.346 cm³; (16)Polarizability: 13.622×10^-24cm³; (17)Surface Tension: 68.982 dyne/cm; (18)Density: 1.844 g/cm³; (19)Flash Point: 124.458 °C; (20)Enthalpy of Vaporization: 52.102 kJ/mol; (21)Boiling Point: 282.18 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(ncnc1)N
(2)InChI: InChI=1/C4H4BrN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
(3)InChIKey: IIFAONYUCDAVGA-UHFFFAOYAJ