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Benzaldehyde, 4-(5-pyrimidinyl)-

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Name

Benzaldehyde, 4-(5-pyrimidinyl)-

EINECS N/A
CAS No. 198084-12-7 Density 1.205 g/cm3
PSA 42.85000 LogP 1.95610
Solubility N/A Melting Point 145-149 °C(lit.)
Formula C11H8N2O Boiling Point 369.1 °C at 760 mmHg
Molecular Weight 184.197 Flash Point 180.6 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 198084-12-7 (4-(PYRIMIDIN-5-YL)BENZALDEHYDE) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

4-(Pyrimidin-5-yl)benzaldehyde;5-(4-Formylphenyl)pyrimidine;4-Pyrimidin-5-yl-benzaldehyde;

Article Data 8

Benzaldehyde, 4-(5-pyrimidinyl)- Specification

The CAS register number of Benzaldehyde, 4-(5-pyrimidinyl)- is 198084-12-7. It also can be called as 5-(4-Formylphenyl)pyrimidine and the IUPAC name about this chemical is 4-pyrimidin-5-ylbenzaldehyde. The molecular formula about this chemical is C11H8N2O and the molecular weight is 184.19.

Physical properties about Benzaldehyde, 4-(5-pyrimidinyl)- are: (1)ACD/LogP: 1.28; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 42.85Å2; (5)Index of Refraction: 1.621; (6)Molar Refractivity: 53.78 cm3; (7)Molar Volume: 152.8 cm3; (8)Polarizability: 21.32x10-24cm3; (9)Surface Tension: 53.8 dyne/cm; (10)Flash Point: 180.6 °C; (11)Enthalpy of Vaporization: 61.59 kJ/mol; (12)Boiling Point: 369.1 °C at 760 mmHg; (13)Vapour Pressure: 1.21E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes. It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(c1cncnc1)cc2
(2)InChI: InChI=1/C11H8N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-8H
(3)InChIKey: BXNXTOLXLPQMHS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H8N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-8H
(5)Std. InChIKey: BXNXTOLXLPQMHS-UHFFFAOYSA-N

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