Basic information
- CAS
89898-94-2- Standard SMILES
O=c1[nH]ncc2ccc([N+](=O)[O-])cc12- InChIKey
OOKJRZYVWWMGFI-UHFFFAOYSA-N- Molecular formula
- C8H5N3O3
- Average molar mass
- 191.14 g/mol
- Monoisotopic mass
- 191.03309102
Names & identifiers
- Preferred name
- 7-Nitrophthalazin-1(2h)-one
- IUPAC
- 7-nitro-2H-phthalazin-1-one
- English name
- 7-nitrophthalazin-1(2H)-one
- Molecular formula
- C8H5N3O3
- Molecular weight
- 191.14
Names & synonyms
7-nitrophthalazin-1(2h)-one89898-94-27-nitro-2H-phthalazin-1-one7-nitro-1,2-dihydrophthalazin-1-one1(2H)-Phthalazinone, 7-nitro-1,2-Dihydro-7-nitro-1-oxophthalazineMFCD22495159NSC1266967-nitro-1(2H)-phthalazinoneSCHEMBL5863835SCHEMBL30095491DTXSID50298879
Show more names
OOKJRZYVWWMGFI-UHFFFAOYSA-NAKOS028108655NSC-126696AS-58990
Database identifiers
- CAS
89898-94-2- PubChem CID
- 277729
- DTXSID
DTXSID50298879
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 232 · 232-233 °C
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- 10.8 · 10.80±0.20(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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海腾彤化工科技有限公司17602173738 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
10 records
Compound notes
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