3,6-Dibromopyridazine

HCID 248852

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Grundinformationen

CAS: 17973-86-3
Standard-SMILES: Brc1ccc(Br)nn1
InChIKey: VQAFMTSSCUETHA-UHFFFAOYSA-N
Summenformel: C4H2Br2N2
Durchschnittliche Molmasse: 237,88 g/mol
Monoisotopische Masse: 235,85847226

Namen und Bezeichner

Bevorzugter Name: 3,6-Dibromopyridazine
IUPAC: 3,6-dibromopyridazine
Englischer Name: 3,6-Dibromopyridazide
Summenformel: C4H2Br2N2
Molmasse: 237.88

Namen und Synonyme

3,6-dibromopyridazineDTXSID70290072RefChem:487509DTXCID40241218687-847-517973-86-33,6-DibromopyridazidePyridazine, 3,6-dibromo-MFCD002339473,6-dibromo-pyridazine3,6-Dibromo pyridazineCS-W019835

Weitere Namen anzeigen

3,6-Dibromo-1,2-diazine3,6-Dibromopyridazine ,97%3,6-Dibromopyridazine, CAS 17973-86-33,6-Dibromopyridazide ISO 9001：2015 REACH

PS-4502AC-25272HY-59234SY009350EN300-87121BCP19349NSC66366AM20090061

Datenbank-Bezeichner

CAS: 17973-86-3
PubChem CID: 248852
DTXSID: DTXSID70290072
EC Number: 687-847-5
Nikkaji: J2.380.591J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 68,4

Physikochemische Eigenschaften

Schmelzpunkt: 116 °C · 116 °C
Siedepunkt: 327.5 · 327.5±22.0 °C(Predicted)
Dichte: 2 · 2+-.0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -1.18 · -1.18±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to pale yellow
InChI: InChI=1S/C4H2Br2N2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKey: VQAFMTSSCUETHA-UHFFFAOYSA-N
SMILES: C1(Br)=NN=C(Br)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 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 CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-20/21/22-22
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-36/37/39-22-37/39-36/37-24/25
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3,6-dibromopyridazine is an important intermediate in organic synthesis. It is mainly used in pharmaceutical intermediates, organic synthesis, organic solvents, and can also be used in dye production, pesticide production and perfumery.

Darstellung · 1 Eintrag

synthetische3,6-dibromopyridazine for Synthesis: A mixture of maleic hydrazide (1.1 g, 10 mmol) and PBr5 (4.7 g, 11 mmol) was heated at 100 °C until no more white fumes of hydrogen bromide were produced (~2 h). After cooling, the orange residue was poured into ice water and the resulting mixture was extracted with CH2Cl2 (3 x 20 mL). The organic layer was washed with saturated aqueous NaHCO3, dried over MgSO4, filtered and concentrated. The crude product was purified by flash column chromatography on silica gel (CH2Cl2) to give 3,6-dibromopyridazine as a white solid (1.20 g, 50%).