3,4-Dibromopyridine

HCID 817106

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Grundinformationen

CAS: 13534-90-2
Standard-SMILES: Brc1ccncc1Br
InChIKey: ZFZWZGANFCWADD-UHFFFAOYSA-N
Summenformel: C5H3Br2N
Durchschnittliche Molmasse: 236,89 g/mol
Monoisotopische Masse: 234,86322

Namen und Bezeichner

Bevorzugter Name: 3,4-Dibromopyridine
IUPAC: 3,4-dibromopyridine
Englischer Name: 3,4-Dibromopyridine
Summenformel: C5H3Br2N
Molmasse: 236.89

Namen und Synonyme

3,4-dibromopyridine13534-90-2DTXSID20355746RefChem:270806DTXCID30306805800-799-3Pyridine, 3,4-dibromo-MFCD002340163,4-dibromo-pyridineSCHEMBL1203743CS-W000823D4916

Weitere Namen anzeigen

4-DIBROMOPYRIDINESPECS AC-907/250043433,4-Dibromopyridine98%3,4-DIBROMOPYRIDINE ISO 9001：2015 REACH

EN300-199172AC-907/25004343AMY305773,4-Dibromo pyridineSCHEMBL1180957SCHEMBL7758192SCHEMBL18938724SCHEMBL41963381

Datenbank-Bezeichner

CAS: 13534-90-2
PubChem CID: 817106
DTXSID: DTXSID20355746
EC Number: 800-799-3
Nikkaji: J81.635C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 76,8

Physikochemische Eigenschaften

Schmelzpunkt: 71 · 71-72 C
Siedepunkt: 239.9 · 239.9±20.0 °C(Predicted)
Dichte: 2.059 · 2.059±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 2.06 · 2.06±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Yellow to Orange
CAS Datenbank: 13534 · 13534-90-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (40%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (40%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3,4-dibromopyridine is a vital organic compound that could synthesise virous azaindoles. 6-Azaindoles are formed through site-selective Pd-catalyzed Sonogashira reaction of 3,4-dibromopyridine with alkynes, followed by a Pd-catalyzed tandem C–N coupling and cyclization with amines. On the other hand, 5-azaindoles are obtained by a site-selective Pd-catalyzed C–N coupling reaction of 3,4-dibromopyridine with amines, followed by C–C coupling and cyclization with alkynes[1].