Ethyl 2-(5-bromopyrimidin-2-yl)-2-cyanoacetate supplier

Name
ETHYL 2-(5-BROMOPYRIMIDIN-2-YL)-2-CYANOACETATE
EINECS
CAS No. 65364-66-1
Article Data3
CAS DataBase
Density 1.57 g/cm³
Solubility
Melting Point
Formula C₉H₈BrN₃O₂
Boiling Point 362.931 °C at 760 mmHg
Molecular Weight 270.085
Flash Point 173.295 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms QC-5594;ethyl (5-bromopyrimidin-2-yl)(cyano)acetate;
PSA 75.87000
LogP 1.40938

Ethyl 2-(5-bromopyrimidin-2-yl)-2-cyanoacetate Specification

The 2-Pyrimidineaceticacid, 5-bromo-a-cyano-,ethyl ester, with its CAS registry number 65364-66-1, is also known as ethyl (5-bromopyrimidin-2-yl)(cyano)acetate. And this chemical has its molecular formula of C₉H₈BrN₃O₂ and molecular weight of 270.08. Besides, it should be kept at room temperature.

Physical properties of 2-Pyrimidineaceticacid, 5-bromo-a-cyano-,ethyl ester: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 75.87 Å²; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 55.265 cm³; (9)Molar Volume: 172.017 cm³; (10)Polarizability: 21.909×10^-24 cm³; (11)Surface Tension: 57.51 dyne/cm; (12)Density: 1.57 g/cm³; (13)Flash Point: 173.295 °C; (14)Enthalpy of Vaporization: 60.893 kJ/mol; (15)Boiling Point: 362.931 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 2-Pyrimidineaceticacid, 5-bromo-a-cyano-,ethyl ester: 5-bromo-2-chloro-pyrimidine could react with cyanoacetic acid ethyl ester; sodium enolate to produce 2-Pyrimidineaceticacid, 5-bromo-a-cyano-,ethyl ester. This reaction happens for 3 hours.

5-bromo-2-chloro-pyrimidine could react with cyanoacetic acid ethyl ester; sodium enolate to produce 2-Pyrimidineaceticacid, 5-bromo-a-cyano-,ethyl ester.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OCC)C(C#N)c1ncc(Br)cn1
(2)Std. InChI:InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7(3-11)8-12-4-6(10)5-13-8/h4-5,7H,2H2,1H3
(3)Std. InChIKey:ZEGHGHAHJGTOPM-UHFFFAOYSA-N

Product Name

ETHYL 2-(5-BROMOPYRIMIDIN-2-YL)-2-CYANOACETATE

Ethyl 2-(5-bromopyrimidin-2-yl)-2-cyanoacetate Specification

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