Ethyl 4-nitro-1H-pyrrole-2-carboxylate supplier

Name
4-NITROPYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 5930-92-7
Article Data11
CAS DataBase
Density 1.374 g/cm³
Solubility
Melting Point 174 °C
Formula C₇H₈N₂O₄
Boiling Point 347.7 °C at 760 mmHg
Molecular Weight 184.152
Flash Point 164.1 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Pyrrole-2-carboxylicacid, 4-nitro-, ethyl ester (6CI,7CI,8CI);4-Nitro-1H-pyrrole-2-carboxylic acidethyl ester;4-Nitropyrrol-2-carboxylic acid ethyl ester;4-Nitropyrrole-2-carboxylic acid ethyl ester;Ethyl4-nitro-2-pyrrolecarboxylate;NSC 50357;ethyl 4-nitro-1H-pyrrole-2-carboxylate;
PSA 87.91000
LogP 1.62280

Ethyl 4-nitro-1H-pyrrole-2-carboxylate Specification

This chemical is called Ethyl 4-nitro-1H-pyrrole-2-carboxylate, and it can also be named as 1H-Pyrrole-2-carboxylicacid, 4-nitro-, ethyl ester. With the CAS registry number of 5930-92-7, its product category is Chiral chemicals. Additionally, this chemical should be sealed in the cool and dry place.

Other characteristics of the Ethyl 4-nitro-1H-pyrrole-2-carboxylate can be summarised as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 77.05 Å²; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 43.63 cm³; (9)Molar Volume: 133.9 cm³; (10)Polarizability: 17.29×10^-24cm³; (11)Surface Tension: 56.2 dyne/cm; (12)Density: 1.374 g/cm³; (13)Flash Point: 164.1 °C; (14)Enthalpy of Vaporization: 59.21 kJ/mol; (15)Boiling Point: 347.7 °C at 760 mmHg; (16)Vapour Pressure: 5.27E-05 mmHg at 25°C.

Uses of this chemical: The 4-nitro-pyrrole-2-carboxylic acid could be obtained by the reactant of Ethyl 4-nitro-1H-pyrrole-2-carboxylate. This reaction needs the reagent of 15percent aq. KOH. The yield is 99 %. This reaction should be taken for 4 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1cc([N+](=O)[O-])cn1
2.InChI: InChI=1/C7H8N2O4/c1-2-13-7(10)6-3-5(4-8-6)9(11)12/h3-4,8H,2H2,1H3
3.InChIKey: PEORWHVRWXGKMS-UHFFFAOYAV

Product Name

4-NITROPYRROLE-2-CARBOXYLIC ACID ETHYL ESTER

Ethyl 4-nitro-1H-pyrrole-2-carboxylate Specification

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