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163213-38-5

163213-38-5 Structure

163213-38-5 Structure
IdentificationBack Directory
[Name]

METHYL 4-OXO-5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXYLATE
[CAS]

163213-38-5
[Synonyms]

Methyl 4-oxo-5.6.7.8-tetrahydro-4H-pyrazolo[1.5-a][1.4]diazepine
Methyl 4-oxo-4H,5H,6H,7H,8H-pyrazolo-[1,5-a][1,4]diazepine-2-carboxylate
METHYL 4-OXO-5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXYLATE
4H-Pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid, 5,6,7,8-tetrahydro-4-oxo-, methyl ester
[Molecular Formula]

C9H11N3O3
[MDL Number]

MFCD02570753
[MOL File]

163213-38-5.mol
[Molecular Weight]

209.2
Chemical PropertiesBack Directory
[Melting point ]

229-230 °C
[Boiling point ]

508.2±38.0 °C(Predicted)
[density ]

1.48±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

solid
[pka]

14.66±0.20(Predicted)
[InChI]

1S/C9H11N3O3/c1-15-9(14)6-5-7-8(13)10-3-2-4-12(7)11-6/h5H,2-4H2,1H3,(H,10,13)
[InChIKey]

VWXQPZYUOQXYLQ-UHFFFAOYSA-N
[SMILES]

O=C1C2=CC(C(OC)=O)=NN2CCCN1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[WGK Germany ]

WGK 3
[HS Code ]

2933199090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Methyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate is a reagent in the preparation of pyrazolodiazepine fibrinogen receptor antagonist
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 4-OXO-5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXYLATE(163213-38-5)1HNMR
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