1H-Pyrazole-5-carboxylicacid, 1,3-dimethyl-4-nitro-, ethyl ester supplier

Name
1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 78208-68-1
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₈H₁₁N₃O₄
Boiling Point 327.2 °C at 760 mmHg
Molecular Weight 213.193
Flash Point 151.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate;1H-pyrazole-5-carboxylic acid, 1,3-dimethyl-4-nitro-, ethyl ester;ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate;ethyl 1,3-dimethyl-4-nitropyrazole-5-carboxylate;ethyl 4-nitro-1,3-dimethyl-1H-pyrazole-5-carboxylate;
PSA 89.94000
LogP 1.33660

1H-Pyrazole-5-carboxylicacid, 1,3-dimethyl-4-nitro-, ethyl ester Specification

The 1H-Pyrazole-5-carboxylicacid, 1,3-dimethyl-4-nitro-, ethyl ester, with the CAS registry number 78208-68-1, has the systematic name of ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate. It belongs to the product category of Pyrazole. And the molecular formula of the chemical is C₈H₁₁N₃O₄.

The characteristics of 1H-Pyrazole-5-carboxylicacid, 1,3-dimethyl-4-nitro-, ethyl ester are as followings: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 89.94 Å²; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 51.21 cm³; (9)Molar Volume: 154.9 cm³; (10)Polarizability: 20.3×10^-24cm³; (11)Surface Tension: 49 dyne/cm; (12)Density: 1.37 g/cm³; (13)Flash Point: 151.7 °C; (14)Enthalpy of Vaporization: 56.94 kJ/mol; (15)Boiling Point: 327.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000206 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)c1c([N+]([O-])=O)c(nn1C)C
(2)InChI: InChI=1/C8H11N3O4/c1-4-15-8(12)7-6(11(13)14)5(2)9-10(7)3/h4H2,1-3H3
(3)InChIKey: VDHKTDCTKTZYQI-UHFFFAOYAP

Product Name

1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

1H-Pyrazole-5-carboxylicacid, 1,3-dimethyl-4-nitro-, ethyl ester Specification

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