1-Chlorophthalazine

HCID 160793CAS 5784-45-2

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Grundinformationen

Standard-SMILES: Clc1nncc2ccccc12
InChIKey: UCOVESIAFFGEOR-UHFFFAOYSA-N
Summenformel: C8H5ClN2
Durchschnittliche Molmasse: 164,59 g/mol
Monoisotopische Masse: 164,0141259

Namen und Bezeichner

Bevorzugter Name: 1-Chlorophthalazine
IUPAC: 1-chlorophthalazine
Englischer Name: 1-Chlorophthalazine
Summenformel: C8H5ClN2
Molmasse: 164.59

Namen und Synonyme

1-Chlorophthalazine5784-45-2Phthalazine, 1-chloro-1-Chloro-phthalazineCCRIS 7361I1IE9W0S0CNSC-71104UNII-I1IE9W0S0CDTXSID20206547NSC 711041-CHLOROPHTHALAZINE [USP IMPURITY]1-CHLOROPHTHALAZINE (USP IMPURITY)

Weitere Namen anzeigen

Hydralazine IMpurity 021-Chloro-2,3-benzodiazineHydralazine Chloro IMpurity1-Chlorophthalazine Discontinued See C379660Hydralazine Hydrochloride Impurity: 1-ChlorophthalazineHydralazine Hydrochloride - Impurity A (Hydrochloride Salt)

RefChem:75462DTXCID50129038676-559-5MFCD00024141chlorophthalazine1chlorophthalazine1-chlorophthalazinNSC71104

Datenbank-Bezeichner

CAS: 5784-45-2
PubChem CID: 160793
DTXSID: DTXSID20206547
UNII: I1IE9W0S0C
EC Number: 676-559-5
Nikkaji: J29.053J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Schmelzpunkt: 109 · 109-112°C
Siedepunkt: 364.3 · 364.3±15.0 °C(Predicted)
Dichte: 1.349 · 1.349±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 1.74 · 1.74±0.10(Predicted)
Farbe: Yellow to Dark Yellow
Wasserlöslichkeit: Insoluble in water. Soluble in dichloromethane, ethanol and methanol.
Stabilität: Moisture Sensitive

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 36 reports by companies from 5 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.