3-Chlor-6-phenylpyridazin

3-Chloro-6-phenylpyridazine

HCID 88515CAS 20375-65-9

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Grundinformationen

Standard-SMILES: Clc1ccc(-c2ccccc2)nn1
InChIKey: BUBRFWDEAVIFMV-UHFFFAOYSA-N
Summenformel: C10H7ClN2
Durchschnittliche Molmasse: 190,63 g/mol
Monoisotopische Masse: 190,0297759

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-6-phenylpyridazine
IUPAC: 3-chloro-6-phenylpyridazine
Lokaler Name: 3-Chlor-6-phenylpyridazin
Englischer Name: 3-Chloro-6-phenylpyridazine
Summenformel: C10H7ClN2
Molmasse: 190.63

Namen und Synonyme

3-Chloro-6-phenylpyridazine20375-65-9DTXSID10174302EINECS 243-772-6NSC 28739RefChem:93484DTXCID3096793243-772-6Pyridazine, 3-chloro-6-phenyl-3-Phenyl-6-chloropyridazine3-Chloro-6-phenyl-pyridazineMFCD00075253

Weitere Namen anzeigen

6-Phenyl-3-chloropyridazinePyridazine,3-chloro-6-phenyl-3-Chloro-6-phenylpyridazine97%3-Chloro-6-phenylpyridazine 97%JR-8838, 3-Chloro-6-phenylpyridazine, 97%3-CHLORO-6-PHENYLPYRIDAZINE ISO 9001：2015 REACH(6-Chloropyridazin-3-yl)benzene, 3-Chloro-6-phenyl-1,2-diazine

3-chloro-6-phenylpyridazin6-chloro-3-phenylpyridazine3-chloro-6-phenyl pyridazineMLS000780052NSC-28739AKOS005208478SMR0004202356-Phenyl-3-chloropyridazine; NSC 28739; 3-Phenyl-6-chloropyridazine; 6-Chloro-3-phenylpyridazine

Datenbank-Bezeichner

CAS: 20375-65-9
PubChem CID: 88515
DTXSID: DTXSID10174302
ChEMBL: CHEMBL1874651
UNII: 6R4KXE34TW
EC Number: 243-772-6
Nikkaji: J280.579K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 157

Experimentelle und physikochemische Eigenschaften

Solubility10.3 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 159 · 159-161 °C (lit.)
Siedepunkt: 375 · 375.0±22.0 °C(Predicted)
Dichte: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly, Heated)
Aggregatzustand: Solid
pka: 0.42 · 0.42±0.10(Predicted)
Farbe: Light Brown
InChI: 1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey: BUBRFWDEAVIFMV-UHFFFAOYSA-N
SMILES: Clc1ccc(nn1)-c2ccccc2
CAS Datenbank: 20375 · 20375-65-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933998090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3-Chloro-6-phenylpyridazine may be used in the synthesis of 6-substituted phenyl-2-(3í-substituted phenylpyridazin-6í-yl)-2,3,4,5-tetrahydropyridazin-3-ones.