Methyl (4,6-dichloro-5-pyrimidinyl)acetate supplier

Name
Methyl 2-(4,6-dichloropyriMidin-5-yl)acetate
EINECS
CAS No. 171096-33-6
Article Data6
CAS DataBase
Density 1.4±0.1 g/cm³
Solubility
Melting Point
Formula C₇H₆Cl₂N₂O₂
Boiling Point 305.9±37.0 °C at 760 mmHg
Molecular Weight 221.043
Flash Point 138.8±26.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-(4,6-Dichloropyrimidin-5-yl)acetate;
PSA 52.08000
LogP 1.49890

Methyl (4,6-dichloro-5-pyrimidinyl)acetate Specification

The Methyl (4,6-dichloro-5-pyrimidinyl)acetate, with the CAS registry number 171096-33-6, is also known as Methyl 2-(4,6-Dichloropyrimidin-5-yl)acetate. This chemical's molecular formula is C₇H₆Cl₂N₂O₂ and molecular weight is 221.04. What's more, its systematic name is Methyl (4,6-dichloro-5-pyrimidinyl)acetate.

Physical properties of Methyl (4,6-dichloro-5-pyrimidinyl)acetate are: (1)ACD/LogP: 1.03±0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.59; (6)ACD/BCF (pH 7.4): 3.59; (7)ACD/KOC (pH 5.5): 86.94; (8)ACD/KOC (pH 7.4): 86.94; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 48.2±0.3 cm³; (15)Molar Volume: 152.6±3.0 cm³; (16)Polarizability: 19.1±0.5×10^-24cm³; (17)Surface Tension: 51.3±3.0 dyne/cm; (18)Density: 1.4±0.1 g/cm³; (19)Flash Point: 138.8±26.5 °C; (20)Enthalpy of Vaporization: 54.6±3.0 kJ/mol; (21)Boiling Point: 305.9±37.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)Cc1c(ncnc1Cl)Cl
(2)Std. InChI: InChI=1S/C7H6Cl2N2O2/c1-13-5(12)2-4-6(8)10-3-11-7(4)9/h3H,2H2,1H3
(3)Std. InChIKey: ORHWGOUAAWDYFP-UHFFFAOYSA-N

Product Name

Methyl 2-(4,6-dichloropyriMidin-5-yl)acetate

Methyl (4,6-dichloro-5-pyrimidinyl)acetate Specification

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