Pyrimidine,2-chloro-4-(3-methoxyphenyl)- supplier

Name
2-Chloro-4-(3-methoxyphenyl)pyrimidine
EINECS
CAS No. 499195-50-5
Article Data5
CAS DataBase
Density 1.246 g/cm³
Solubility
Melting Point
Formula C₁₁H₉ClN₂O
Boiling Point 393.704 °C at 760 mmHg
Molecular Weight 220.658
Flash Point 191.906 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(2-Chloropyrimidin-4-yl)-1-methoxybenzene;
PSA 35.01000
LogP 2.80560

Pyrimidine,2-chloro-4-(3-methoxyphenyl)- 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

Product Name

2-Chloro-4-(3-methoxyphenyl)pyrimidine

Pyrimidine,2-chloro-4-(3-methoxyphenyl)- Specification

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