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CAS No.: | 5930-92-7 |
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Name: | 4-NITROPYRROLE-2-CARBOXYLIC ACID ETHYL ESTER |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H8N2O4 |
Molecular Weight: | 184.152 |
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; |
Density: | 1.374 g/cm3 |
Melting Point: | 174 °C |
Boiling Point: | 347.7 °C at 760 mmHg |
Flash Point: | 164.1 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 87.91000 |
LogP: | 1.62280 |
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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