ChemicalBook--->CAS DataBase List--->13138-76-6

13138-76-6

13138-76-6 Structure

13138-76-6 Structure
IdentificationBack Directory
[Name]

METHYL-4-NITRO-1-METHYL PYRROLE-2-CARBOXYLATE
[CAS]

13138-76-6
[Synonyms]

Methyl 1-methyl-4-nitro-pyrrole-2-carboxylate
methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate
1-methyl-4-nitropyrrole-2-carboxylic acid methyl ester
[Molecular Formula]

C7H8N2O4
[MDL Number]

MFCD03789112
[MOL File]

13138-76-6.mol
[Molecular Weight]

184.15
Chemical PropertiesBack Directory
[Melting point ]

113 °C
[Boiling point ]

305.2±22.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

-12.72±0.70(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C7H8N2O4/c1-8-4-5(9(11)12)3-6(8)7(10)13-2/h3-4H,1-2H3
[InChIKey]

SEOKAHOXOYKYKS-UHFFFAOYSA-N
[SMILES]

N1(C)C=C([N+]([O-])=O)C=C1C(OC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

Methyl 1-Methyl-4-nitro-1H-pyrrole-2-carboxylate is used in preparation of Aminoglycosides as DNA binding agents with minor groove binding tail.
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL-4-NITRO-1-METHYL PYRROLE-2-CARBOXYLATE(13138-76-6)1HNMR
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