CAS No.499195-50-5,2-Chloro-4-(3-methoxyphenyl)pyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	499195-50-5
Name:	2-Chloro-4-(3-methoxyphenyl)pyrimidine
Article Data:	5

Formula:	C₁₁H₉ClN₂O
Molecular Weight:	220.658
Synonyms:	3-(2-Chloropyrimidin-4-yl)-1-methoxybenzene;
Density:	1.246 g/cm³
Boiling Point:	393.704 °C at 760 mmHg
Flash Point:	191.906 °C
Hazard Symbols:	Xi
Risk Codes:	22-37/38-41
Safety:	26-39
PSA:	35.01000
LogP:	2.80560

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Specification

The Pyrimidine, 2-chloro-4-(3-methoxyphenyl)-, with the CAS registry number 499195-50-5, is also known as 3-(2-Chloropyrimidin-4-yl)-1-methoxybenzene. This chemical's molecular formula is C₁₁H₉ClN₂O and molecular weight is 220.66. What's more, its systematic name is 2-Chloro-4-(3-methoxyphenyl)pyrimidine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Pyrimidine, 2-chloro-4-(3-methoxyphenyl)- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 252; (8)ACD/KOC (pH 7.4): 252; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 58.601 cm³; (15)Molar Volume: 177.119 cm³; (16)Polarizability: 23.231×10^-24 cm³; (17)Surface Tension: 46.079 dyne/cm; (18)Density: 1.246 g/cm³; (19)Flash Point: 191.906 °C; (20)Enthalpy of Vaporization: 61.85 kJ/mol; (21)Boiling Point: 393.704 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc(c1)c2ccnc(n2)Cl
(2) InChI: InChI=1/C11H9ClN2O/c1-15-9-4-2-3-8(7-9)10-5-6-13-11(12)14-10/h2-7H,1H3
(3) InChIKey: QGUFGKFTAPDKHO-UHFFFAOYAZ