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77232-38-3

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Basic Information
CAS No.: 77232-38-3
Name: 4-(PYRIMIDIN-2-YL)BENZALDEHYDE
Article Data: 6
Molecular Structure:
Molecular Structure of 77232-38-3 (4-(PYRIMIDIN-2-YL)BENZALDEHYDE)
Formula: C11H8N2O
Molecular Weight: 184.197
Synonyms: 4-(Pyrimidin-2-yl)benzaldehyde;
EINECS: 604-604-1
Density: 1.205 g/cm3
Melting Point: 111.5-112.0 °C
Boiling Point: 257.101 °C at 760 mmHg
Flash Point: 113.036 °C
Hazard Symbols: IrritantXi
Risk Codes: 22-36-43
Safety: 26-36/37
PSA: 42.85000
LogP: 1.95610
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Specification

The Benzaldehyde,4-(2-pyrimidinyl)- is an organic compound with the formula C11H8N2O. The systematic name of this chemical is 4-(pyrimidin-2-yl)benzaldehyde. With the CAS registry number 77232-38-3, it is also named as 2-(4-Formylphenyl)pyrimidine. The product's category is Phenyls & Phenyl-Het; Aldehydes; Phenyls & Phenyl-Het.

Physical properties about Benzaldehyde,4-(2-pyrimidinyl)- are: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 26; (5)ACD/BCF (pH 7.4): 26; (6)ACD/KOC (pH 5.5): 360; (7)ACD/KOC (pH 7.4): 360; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.85 Å2; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 53.78 cm3; (13)Molar Volume: 152.832 cm3; (14)Polarizability: 21.32×10-24cm3; (15)Surface Tension: 53.838 dyne/cm; (16)Density: 1.205 g/cm3; (17)Flash Point: 113.036 °C; (18)Enthalpy of Vaporization: 49.464 kJ/mol; (19)Boiling Point: 257.101 °C at 760 mmHg; (20)Vapour Pressure: 0.015 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1)c2ncccn2
(2)InChI: InChI=1/C11H8N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-8H
(3)InChIKey: JUYLMPWKVWDXBE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H8N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-8H
(5)Std. InChIKey: JUYLMPWKVWDXBE-UHFFFAOYSA-N