3-Chloro-6-hydrazinopyridazine

HCID 100787CAS 17284-97-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: NNc1ccc(Cl)nn1
InChIKey: FXYQRYGWWZKUFV-UHFFFAOYSA-N
Summenformel: C4H5ClN4
Durchschnittliche Molmasse: 144,56 g/mol
Monoisotopische Masse: 144,0202739

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-6-hydrazinopyridazine
IUPAC: (6-chloropyridazin-3-yl)hydrazine
Englischer Name: 3-Chloro-6-hydrazinopyridazine
Summenformel: C4H5ClN4
Molmasse: 144.56

Namen und Synonyme

3-Chloro-6-hydrazinopyridazine17284-97-83-Chloro-6-hydrazino-pyridazineAbc-9076-chloro-3-hydrazinopyridazine6-Chloro-3-hydrazino-pyridazineDTXSID30169412RefChem:500288DTXCID3091903605-647-83-chloro-6-hydrazinylpyridazine(3-Chloropyridazin-6-yl)hydrazine

Weitere Namen anzeigen

3-chloro-6-hydrazineylpyridazineBUTTPARK 97\15-14AKOS BBS-00000699RARECHEM BG FB 0135oro-6-hydrazinopyridazine(6-Chloro-pyridazin-3-yl)...3-Hydrazino-6-chloropyridazine

(6-chloropyridazin-3-yl)hydrazineMFCD000517401-(6-CHLOROPYRIDAZIN-3-YL)HYDRAZINE3(2H)-Pyridazinone, 6-chloro-, hydrazone(6-Chloro-pyridazin-3-yl)-hydrazine3-chloropyridazin-6-yl hydrazinePYRIDAZINE, 3-CHLORO-6-HYDRAZINO-6-chloropyridazine-3-ylhydrazine

Datenbank-Bezeichner

CAS: 17284-97-8
PubChem CID: 100787
DTXSID: DTXSID30169412
ChEMBL: CHEMBL1307732
EC Number: 605-647-8
Nikkaji: J364.739K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 63,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 88

Experimentelle und physikochemische Eigenschaften

Solubility10.1 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 137 · 137-141 °C (lit.)
Siedepunkt: 271 · 271.0±23.0 °C(Predicted)
Dichte: 1.63 · 1.63±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: powder
pka: 5.34 · 5.34±0.20(Predicted)
Farbe: Off-white
BRN: 125591 · 125591
InChI: InChI=1S/C4H5ClN4/c5-3-1-2-4(7-6)9-8-3/h1-2H,6H2,(H,7,9)
InChIKey: FXYQRYGWWZKUFV-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(NN)C=C1
CAS Datenbank: 17284 · 17284-97-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (91.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (89.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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.