Pyridine,3-bromo-4-(4-methoxyphenyl)- supplier

Name
3-BROMO-4-(4'-METHOXYPHENYL)PYRIDINE
EINECS
CAS No. 88345-97-5
Article Data2
CAS DataBase
Density 1.403 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀BrNO
Boiling Point 331.8 °C at 760 mmHg
Molecular Weight 264.12
Flash Point 154.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Bromo-4-(4-methoxyphenyl)pyridine;
PSA 22.12000
LogP 3.51970

Pyridine,3-bromo-4-(4-methoxyphenyl)- Specification

The Pyridine,3-bromo-4-(4-methoxyphenyl)-, with CAS registry number 88345-97-5, has the systematic name of 3-bromo-4-(4-methoxyphenyl)pyridine. Its molecular weight is 264.12. And the chemical formula of this chemical is C₁₂H₁₀BrNO.

Physical properties of Pyridine,3-bromo-4-(4-methoxyphenyl)-: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 165.53; (6)ACD/BCF (pH 7.4): 167.16; (7)ACD/KOC (pH 5.5): 1344.78; (8)ACD/KOC (pH 7.4): 1358.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 63.3 cm³; (15)Molar Volume: 188.1 cm³; (16)Polarizability: 25.09×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.403 g/cm³; (19)Flash Point: 154.5 °C; (20)Enthalpy of Vaporization: 55.17 kJ/mol; (21)Boiling Point: 331.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000294 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2c(c1ccc(OC)cc1)ccnc2
(2)InChI: InChI=1/C12H10BrNO/c1-15-10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h2-8H,1H3
(3)InChIKey: OHGNCIYQZUABSZ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H10BrNO/c1-15-10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h2-8H,1H3
(5)Std. InChIKey: OHGNCIYQZUABSZ-UHFFFAOYSA-N

Product Name

3-BROMO-4-(4'-METHOXYPHENYL)PYRIDINE

Pyridine,3-bromo-4-(4-methoxyphenyl)- Specification

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