Products Categories
CAS No.: | 77232-38-3 |
---|---|
Name: | 4-(PYRIMIDIN-2-YL)BENZALDEHYDE |
Article Data: | 6 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 22-36-43 |
Safety: | 26-36/37 |
PSA: | 42.85000 |
LogP: | 1.95610 |
What can I do for you?
Get Best Price
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