Pyrimidine,2-chloro-5-(4-methoxyphenyl)- supplier

Name
2-CHLORO-5-(4-METHOXYPHENYL)PYRIMIDINE
EINECS
CAS No. 27794-03-2
Article Data3
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point 129 °C
Formula C₁₁H₉ClN₂O
Boiling Point 403.1 °C at 760 mmHg
Molecular Weight 220.658
Flash Point 197.6 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Chloro-5-(4-methoxyphenyl)pyrimidine;Pyrimidine,2-chloro-5-(p-methoxyphenyl)- (8CI);
PSA 35.01000
LogP 2.80560

Pyrimidine,2-chloro-5-(4-methoxyphenyl)- Specification

The Pyrimidine, 2-chloro-5-(4-methoxyphenyl)- has CAS registry number 27794-03-2. This chemical's molecular formula is C₁₁H₉ClN₂O and molecular weight is 220.65. What's more, its IUPAC name is 2-Chloro-5-(4-methoxyphenyl)pyrimidine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Pyrimidine, 2-chloro-5-(4-methoxyphenyl)- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.33; (6)ACD/BCF (pH 7.4): 17.33; (7)ACD/KOC (pH 5.5): 268.18; (8)ACD/KOC (pH 7.4): 268.18; (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: 1.575; (14)Molar Refractivity: 58.6 cm³; (15)Molar Volume: 177.1 cm³; (16)Polarizability: 23.23×10^-24 cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 197.6 °C; (20)Enthalpy of Vaporization: 62.88 kJ/mol; (21)Boiling Point: 403.1 °C at 760 mmHg; (22)Vapour Pressure: 2.44E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ncc(c1ccc(OC)cc1)cn2
(2) InChI: InChI=1/C11H9ClN2O/c1-15-10-4-2-8(3-5-10)9-6-13-11(12)14-7-9/h2-7H,1H3
(3) InChIKey: XASJMEVESBZEOO-UHFFFAOYAA

Product Name

2-CHLORO-5-(4-METHOXYPHENYL)PYRIMIDINE

Pyrimidine,2-chloro-5-(4-methoxyphenyl)- Specification

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