Name: 5-BROMO-2-HYDROXYPYRIMIDINE
SKU: 214290-49-0

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Basic Information

Molecular Structure:
CAS No.:	214290-49-0
Name:	5-BROMO-2-HYDROXYPYRIMIDINE
Article Data:	18

Formula:	C₄H₃BrN₂O
Molecular Weight:	174.985
Synonyms:	2(1H)-PYRIMIDINONE,5-BROMO;5-BROMO-2-PYRIMIDINOL;5-Bromopyrimidin-2-one;2-PyriMidinol,5-broMo;5-BROMO-2(1H)-PYRIMIDINONE;5-Bromopyrimidin-2-ol;2-HYDROXY-5-BROMOPYRIMIDINE;
EINECS:	253-896-2
Density:	2 g/cm³
Melting Point:	230 °C (dec.)(lit.)
Boiling Point:	371.3 °C at 760 mmHg
Flash Point:	178.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.01000
LogP:	0.94470

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Specification

Ths 2-Pyrimidinol, 5-bromo- is an organic compound with the formula C₄H₃BrN₂O. The IUPAC name of this chemical is 5-bromo-1H-pyrimidin-2-one. With the CAS registry number 214290-49-0, it is also named as 5-Bromo-2-hydroxypyrimidine. The product's categories are Pyridines, Pyrimidines, Purines and Pteredines; Pharmacetical. In addition, the molecular weight is 174.98.

The other characteristics of 2-Pyrimidinol, 5-bromo- can be summarized as: (1)ACD/LogP: -1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.26; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.89; (8)ACD/KOC (pH 7.4): 4.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 32.94 cm³; (15)Molar Volume: 87.3 cm³; (16)Surface Tension: 59.6 dyne/cm; (17)Enthalpy of Vaporization: 64.26 kJ/mol; (18)Vapour Pressure: 4.87E-06 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 173.942875; (21)MonoIsotopic Mass: 173.942875; (22)Topological Polar Surface Area: 41.5; (23)Heavy Atom Count: 8; (24)Complexity: 173.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:c1c(cnc(=O)[nH]1)Br
2. InChI:InChI=1/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
3. InChIKey:VTUDATOSQGYWML-UHFFFAOYAU
4. Std. InChI:InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
5. Std. InChIKey:VTUDATOSQGYWML-UHFFFAOYSA-N