Basic information
- CAS
81000-13-7- Standard SMILES
Cc1[nH]nc2c1C(c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2- InChIKey
JBJAWVQREDWYEK-UHFFFAOYSA-N- Molecular formula
- C14H11N5O3
- Average molar mass
- 297.27 g/mol
- Monoisotopic mass
- 297.08618923
Names & identifiers
- Preferred name
- 6-Amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)pyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-amino-3-methyl-4-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C14H11N5O3
- Molecular weight
- 297.27
Names & synonyms
81000-13-76-amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)pyrano[2,3-c]pyrazole-5-carbonitrile6-Amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)pyrano(2,3-c)pyrazole-5-carbonitrileRefChem:3070386-amino-3-methyl-4-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-methyl-4-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-methyl-4-(3-nitrophenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrileMFCD002453356-amino-3-methyl-4-(3-nitrophenyl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrileCHEMBL4530142DTXSID301132085
Show more names
6-AMINO-3-ME-4-(3-NITRO-PHENYL)-1,4-DIHYDRO-PYRANO(2,3-C)PYRAZOLE-5-CARBONITRILEPyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)-
SBB062072STK004036AKOS001607484AKOS002266821AKOS016043120AKOS016310632MS-7007FA169032
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- Melting point
- 232 °C · 232 °C(Solv: ethanol (64-17-5))
- Boiling point
- 598.1 · 598.1±50.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 11.44 · 11.44±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
广州理文科技有限公司18028686850 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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