Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate supplier

Name
ETHYL 2,6-DICHLORO-5-NITROPYRIMIDINE-4-CARBOXYLATE
EINECS
CAS No. 54368-61-5
Density 1.602 g/cm³
Solubility
Melting Point 36-38 °C
Formula C₇H₅Cl₂N₃O₄
Boiling Point 391.4 °C at 760 mmHg
Molecular Weight 266.04
Flash Point 190.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl2,6-dichloro-5-nitropyridine-4-carboxylate;Ethyl2,6-dichloro-5-nitropyrimidine-4-carboxylate;2,6-Dichloro-5-nitropyrimidine-4-carboxylic acid ethyl ester;
PSA 97.90000
LogP 2.39150

Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate Specification

The 4-Pyrimidinecarboxylicacid, 2,6-dichloro-5-nitro-, ethyl ester, with the CAS registry number 54368-61-5, is also known as 2,6-Dichloro-5-nitropyrimidine-4-carboxylic acid ethyl ester. It belongs to the product category of Pyrimidine series. This chemical's molecular formula is C₇H₅Cl₂N₃O₄ and molecular weight is 266.04. What's more, its systematic name is Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate.

Physical properties of 4-Pyrimidinecarboxylicacid, 2,6-dichloro-5-nitro-, ethyl ester are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.25; (6)ACD/BCF (pH 7.4): 3.25; (7)ACD/KOC (pH 5.5): 80.91; (8)ACD/KOC (pH 7.4): 80.91; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 97.9 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 55.17 cm³; (15)Molar Volume: 166 cm³; (16)Polarizability: 21.87×10^-24cm³; (17)Surface Tension: 62.8 dyne/cm; (18)Density: 1.602 g/cm³; (19)Flash Point: 190.5 °C; (20)Enthalpy of Vaporization: 64.1 kJ/mol; (21)Boiling Point: 391.4 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nc(Cl)nc(Cl)c1[N+]([O-])=O
(2)InChI: InChI=1S/C7H5Cl2N3O4/c1-2-16-6(13)3-4(12(14)15)5(8)11-7(9)10-3/h2H2,1H3
(3)InChIKey: CXMOEGSGXAUCNZ-UHFFFAOYSA-N

Product Name

ETHYL 2,6-DICHLORO-5-NITROPYRIMIDINE-4-CARBOXYLATE

Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate Specification

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