1,4-Phthalazinedione, 2,3-dihydro-5-nitro-

HCID 3525223

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Grundinformationen

CAS: 3682-15-3
Standard-SMILES: O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12
InChIKey: YVOBBFQJMOGQOU-UHFFFAOYSA-N
Summenformel: C8H5N3O4
Durchschnittliche Molmasse: 207,14 g/mol
Monoisotopische Masse: 207,02800564

Namen und Bezeichner

Bevorzugter Name: 1,4-Phthalazinedione, 2,3-dihydro-5-nitro-
IUPAC: 5-nitro-2,3-dihydrophthalazine-1,4-dione
Englischer Name: 3-Nitrophthalhydrazide
Summenformel: C8H5N3O4
Molmasse: 207.14

Namen und Synonyme

5-nitro-2,3-dihydrophthalazine-1,4-dione1,4-Phthalazinedione, 2,3-dihydro-5-nitro-3-Nitro-phthalhydrazideNSC 942DTXSID7063130YVOBBFQJMOGQOU-UHFFFAOYSA-RefChem:417022DTXCID9039238814-745-1InChI=1/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)3682-15-33-Nitrophthalhydrazide

Weitere Namen anzeigen

AURORA KA-37973-nitrophthalazideLABOTEST-BB LT004529593-NITROPHTHALIC HYDRAZIDE3- Nitrophthalylhydrazine3-Nitrophthaloyl hydrazine

MFCD00006889C8H5N3O42,3-Dihydro-5-nitro-1,4-phthalazinedione5-nitrophthalhydrazide3-Nitrophthalic hydrazineNSC942Oprea1_2941495-nitro-1,2,3,4-tetrahydrophthalazine-1,4-dione

Datenbank-Bezeichner

CAS: 3682-15-3
PubChem CID: 3525223
DTXSID: DTXSID7063130
EC Number: 814-745-1
Nikkaji: J236.681I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 104 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 324

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C (lit.)
Dichte: 1.555 · 1.555±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 9.26 · 9.26±0.20(Predicted)
Farbe: Light yellow to Brown to Dark green
InChI: InChI=1S/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)
InChIKey: YVOBBFQJMOGQOU-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C([N+]([O-])=O)=CC=C2)C(=O)NN1
CAS Datenbank: 3682 · 3682-15-3(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,4-Phthalazinedione, 2,3-dihydro-5-nitro- (3682-15-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H332 (66.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 23-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25152

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29339900
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,4-Phthalazinedione, 2,3-dihydro-5-nitro-: INACTIVE

Anwendungen

Verwenden3-Nitrophthalhydrazide has been used in the preparation of 3-aminophthalhydrazidate, required for the synthesis of monoacylhydrazidate-coordinated Mn2+ and Pb2+ compounds.