Benzaldehyde,4-(2-pyrimidinyl)- supplier

Name
4-(PYRIMIDIN-2-YL)BENZALDEHYDE
EINECS 604-604-1
CAS No. 77232-38-3
Article Data6
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point 111.5-112.0 °C
Formula C₁₁H₈N₂O
Boiling Point 257.101 °C at 760 mmHg
Molecular Weight 184.197
Flash Point 113.036 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36-43
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(Pyrimidin-2-yl)benzaldehyde;
PSA 42.85000
LogP 1.95610

Benzaldehyde,4-(2-pyrimidinyl)- 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

Product Name

4-(PYRIMIDIN-2-YL)BENZALDEHYDE

Benzaldehyde,4-(2-pyrimidinyl)- Specification

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