2-Amino-5-bromo-4-pyrimidinol supplier

Name
2-Amino-5-bromo-4-pyrimidinol
EINECS
CAS No. 61937-71-1
Article Data4
CAS DataBase
Density 2.25 g/cm³
Solubility
Melting Point 284-285 °C
Formula C₄H₄BrN₃O
Boiling Point 379.5 °C at 760 mmHg
Molecular Weight 189.999
Flash Point 183.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-5-bromopyrimidin-4-ol;2-Amino-5-bromo-4-hydroxypyrimidine;
PSA 72.03000
LogP 1.10810

2-Amino-5-bromo-4-pyrimidinol Specification

This chemical is called 2-Amino-5-bromo-4-pyrimidinol, and its CAS registry number is 189.999. With the molecular formula of C₄H₄BrN₃O, its molecular weight is 189.999. Additionally, its product categories are Halides; Pyrazines, Pyrimidines & Pyridazines.

Other characteristics of the 2-Amino-5-bromo-4-pyrimidinol can be summarised as followings: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.64; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.72; (8)ACD/KOC (pH 7.4): 7.83; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 34.85 cm³; (15)Molar Volume: 84.2 cm³; (16)Polarizability: 13.81×10^-24cm³; (17)Surface Tension: 77.5 dyne/cm; (18)Density: 2.25 g/cm³; (19)Flash Point: 183.3 °C; (20)Enthalpy of Vaporization: 65.21 kJ/mol; (21)Boiling Point: 379.5 °C at 760 mmHg; (22)Vapour Pressure: 2.68E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Br\C1=C\N=C(\N)NC1=O
2.InChI: InChI=1/C4H4BrN3O/c5-2-1-7-4(6)8-3(2)9/h1H,(H3,6,7,8,9)
3.InChIKey: PDLZQTZTKDRRAP-UHFFFAOYAQ

Product Name

2-Amino-5-bromo-4-pyrimidinol

2-Amino-5-bromo-4-pyrimidinol Specification

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