Oxalohydrazid

Oxalic acid, dihydrazide

HCID 13826CAS 996-98-5

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Grundinformationen

Standard-SMILES: NNC(=O)C(=O)NN
InChIKey: SWRGUMCEJHQWEE-UHFFFAOYSA-N
Summenformel: C2H6N4O2
Durchschnittliche Molmasse: 118,1 g/mol
Monoisotopische Masse: 118,04907545

Namen und Bezeichner

Bevorzugter Name: Oxalic acid, dihydrazide
IUPAC: ethanedihydrazide
Lokaler Name: Oxalohydrazid
Englischer Name: Oxalyl dihydrazide
Summenformel: C2H6N4O2
Molmasse: 118.1

Namen und Synonyme

996-98-5Oxalic acid hydrazideOxalylhydrazideOxalic acid, dihydrazideEthanedioic acid dihydrazideRefChem:168797213-640-2Oxalyl dihydrazideOxalyldihydrazideEthanedihydrazideEthanedioic acid, dihydrazideOxalic dihydrazide

Weitere Namen anzeigen

OXALIC ACID DIHYDRAZIDEAURORA KA-6471xalylhydrazideoxalichydrazide

OxaldihydrazideOxalyl hydrazideOxalhydrazideOxalohydrazideOxaloyl dihydrazideOxalylhydrazineOxaloylhydrazineOxalic hydrazide

Datenbank-Bezeichner

CAS: 996-98-5
PubChem CID: 13826
DTXSID: DTXSID20870823
UNII: 9ZG676L978
EC Number: 213-640-2
Nikkaji: J36.620J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,1
Polarare Oberfläche (TPSA): 110 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 96

Physikochemische Eigenschaften

Schmelzpunkt: 242 · 242-244 °C (dec.)(lit.)
Siedepunkt: 220.6 °C · 220.6°C (rough estimate)
Dichte: 1.458 · 1.4580
Brechungsindex: 1.4462 · 1.4462 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Wasserlöslichkeit: almost transparency in hot Water
Aggregatzustand: Solid
pka: 10.61 · 10.61±0.20(Predicted)
Farbe: White to off white
Geruch (Odor): Odorless
BRN: 1072110 · 1072110
InChI: InChI=1S/C2H6N4O2/c3-5-1(7)2(8)6-4/h3-4H2,(H,5,7)(H,6,8)
InChIKey: SWRGUMCEJHQWEE-UHFFFAOYSA-N
SMILES: C(=O)(NN)C(=O)NN
CAS Datenbank: 996 · 996-98-5(CAS DataBase Reference)
NIST chemische Informationen: Ethanedioic acid, dihydrazide(996-98-5)
EPA chemische Informationen: Ethanedioic acid, dihydrazide (996-98-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (13.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (88.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationChemical: Ethanedioic acid, dihydrazide

Hazard Classes and CategoriesSkin Irrit. 2 (11.8%)；Skin Sens. 1 (88.2%)；Eye Irrit. 2A (13.7%)；STOT SE 3 (11.8%)；Aquatic Chronic 2 (88.2%)

Regulatorische Informationen

Regulatory InformationChemical: Ethanedioic acid, dihydrazide

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29280090
RTECS-Nr.: RO2840000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanedioic acid, 1,2-dihydrazide: ACTIVE

Anwendungen

VerwendenOxalyldihydrazide was used as a crosslinker for enrichment of carbonylated proteins within a microfluid chip. It was also used to synthesize a new series of manganese and iron salt forming complexes by template condensation with glyoxal.