4-Bromo-2-methylpyrimidine supplier

Name
4-Bromo-2-methylpyrimidine
EINECS
CAS No. 1114560-76-7
Density 1.596 g/cm³
Solubility
Melting Point
Formula C₅H₅BrN₂
Boiling Point 195.2 °C at 760 mmHg
Molecular Weight 173.012
Flash Point 71.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1114560-76-7;
PSA 25.78000
LogP 1.54750

4-Bromo-2-methylpyrimidine Specification

The 4-Bromo-2-methylpyrimidine has the CAS registry number 1114560-76-7. This chemical's molecular formula is C₅H₅BrN₂ and molecular weight is 173.01. What's more, its systematic name is 4-bromo-2-methylpyrimidine.

Physical properties of 4-Bromo-2-methylpyrimidine are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 2.08; (7)ACD/KOC (pH 5.5): 58.83; (8)ACD/KOC (pH 7.4): 58.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 34.95 cm³; (15)Molar Volume: 108.3 cm³; (16)Polarizability: 13.85×10^-24 cm³; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.596 g/cm³; (19)Flash Point: 71.9 °C; (20)Enthalpy of Vaporization: 41.38 kJ/mol; (21)Boiling Point: 195.2 °C at 760 mmHg; (22)Vapour Pressure: 0.593 mmHg at 25°.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Brc1ccnc(C)n1
(2)InChI: InChI=1/C5H5BrN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3
(3)InChIKey: OJPQVYZLQGRFSO-UHFFFAOYAC

Product Name

4-Bromo-2-methylpyrimidine

4-Bromo-2-methylpyrimidine Specification

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