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4-NITROPYRROLE-2-CARBOXYLICACIDETHYLESTER

4-NITROPYRROLE-2-CARBOXYLICACIDETHYLESTER structure

CAS No:
5930-92-7
Formula:
C7H8N2O4
Chemical Name:
4-NITROPYRROLE-2-CARBOXYLICACIDETHYLESTER
Synonyms:
4-NITROPYRROLE-2-CARBOXYLIC ACID ETHYL ESTER 98+%;1H-Pyrrole-2-carboxylic acid, 4-nitro-, ethyl ester;4-Nitropyrrol-2-carboxylic acid ethyl ester;Ethyl 4-nitro-2-pyrrolecarboxylate;NSC 50357;Nitropyrrolecarboxylicacidethylester;4-NITRO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER;4-NITROPYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-NITROPYRROLE-2-CARBOXYLICACIDETHYLESTER Basic Attributes

Molecular Weight：

184.15

Exact Mass：

184.04840674 g/mol

NSC Number：

50357

DSSTox ID：

DTXSID20287331

HScode：

2933990090

Characteristics

PSA：

87.91000

XLogP3：

1.62280

Density：

1.374

Melting Point：

174°C

Boiling Point：

347.7±22.0 °C(Predicted)

Flash Point：

164.1ºC

Refractive Index：

1.564

PKA：

12.21±0.50

Safety Information

Packing level：

III

Hazard category：

4.1

Transport codes：

1325

hazard class code：

36/37/38

safety instructions：

26-36/37/39

GHS Classification：

|Warning|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P280, and P370+P378|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:184.15
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:184.04840674
Monoisotopic Mass:184.04840674
Topological Polar Surface Area:87.9
Heavy Atom Count:13
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-NITROPYRROLE-2-CARBOXYLICACIDETHYLESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties
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