3,5-Dibrompyridin

NSC 6209 · 3,5-Dibrompyridin · IFLAB-BB F1995-0190 · 3,5-DIBROMOPYRIDINE · 3,5-dibormopyridine · TIMTEC-BB SBB003237 · Pyridine, 3,5-dibromo- · 3,5-Dibromopyridine>Perampanel Impurity 12

https://huagongshe.com/de/chemical/69369

Identifikatoren & physikalische Daten

CAS No.	625-92-3
Summenformel	C5H3Br2N
Durchschnittliche Molmasse	236,89 g/mol
Monoisotopische Masse	234,86322 g/mol
SMILES	Brc1cncc(Br)c1
InChIKey	SOSPMXMEOFGPIM-UHFFFAOYSA-N
PubChem CID	69369
ChEBI	CHEBI:51593
EC No.	210-916-4
DTXSID	DTXSID3073921
Lokaler Name	3,5-Dibrompyridin

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	12,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	68
Schmelzpunkt	110-115 °C (lit.)
Siedepunkt	222 °C
Dichte	2.0383 (rough estimate)
Brechungsindex	1.5800 (estimate)
Lagerbedingungen	Inert atmosphere,Room Temperature
Löslichkeit	DMSO (Slightly, Heated), Methanol (Slightly)Soluble in Chloroform and Methanol. Insoluble in water.
pKa (Säurekonstante)	0.52±0.20(Predicted)
Aggregatzustand	Needle-Like Crystals
Farbe	White to light beige
BRN	108477
InChI	1S/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey	SOSPMXMEOFGPIM-UHFFFAOYSA-N
SMILES	Brc1cncc(Br)c1
CAS Datenbank	625-92-3(CAS DataBase Reference)
NIST chemische Informationen	3,5-Dibromopyridine(625-92-3)
EPA chemische Informationen	3,5-Dibromopyridine (625-92-3)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (18.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (15.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (15.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 53 reports by companies from 10 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.
Regulatorische Informationen	3,5-Dibromopyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (18.9%)Acute Tox. 4 (15.1%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (96.2%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN2811
Zollcode	29333999
R-Sätze (R)	36/37/38-20/21/22
Gefahrensymbole	Xi,Xn
Sicherheitshinweise (S)	26-36-36/37/39
Gefahrenklasse	IRRITANTEye Irrit. 2Skin Irrit. 2
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

3-Acetylamino-5-ethoxypyridine was prepared by converting 3, 5-dibromopyridine with sodium ethylate into 3-bromo-5-ethoxypyridine, allowing this substance to interact with ammonia and acetylating the aminoethoxypyridine thus formed with acetic anhydride. Lithiation of 3, 5-dibromopyridine with LDA and subsequent reaction with electrophiles provided 4-alkyl-3, 5-dibromopyridines 2 in high yield. Ligand was prepared by a Pd(0)-catalyzed cross-coupling reaction of 3,5-dibromopyridine and 5-tributylstannyl-3,3-bipyridine. The synthesis of 3, 5-bis (2-indolyl) pyridine and 3-[(2-indolyl)-5-phenyl] pyridine derivatives as includes Stille or Suzuki type reactions, which were realized on the 3,5-dibromopyridine.