2-Bromo-3-chloropyridine

HCID 7016326CAS 96424-68-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Clc1cccnc1Br
InChIKey: GOHBBINNYAWQGO-UHFFFAOYSA-N
Summenformel: C5H3BrClN
Durchschnittliche Molmasse: 192,44 g/mol
Monoisotopische Masse: 190,91373888

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-3-chloropyridine
IUPAC: 2-bromo-3-chloropyridine
Englischer Name: 2-Bromo-3-chloropyridine
Summenformel: C5H3BrClN
Molmasse: 192.44

Namen und Synonyme

2-Bromo-3-chloropyridine96424-68-9DTXSID80426820RefChem:257043DTXCID10377654678-771-3MFCD040393443-CHLORO-2-BROMOPYRIDINEchloro(bromo)pyridineSCHEMBL3645172-Bromo-3-chloropyridine, 97%AKOS005254873

Weitere Namen anzeigen

2-bromo-3-pyridyl chloridePyridine, 2-bromo-3-chloro-2-Bromo-3-chloropyridine,97%2-Bromo-3-chloropyridine >2-bromo-3-chloropyrimidine, 98%min2-Bromo-3-chloropyridine ISO 9001：2015 REACH

CS-W007662HY-W007662AB17348EN300-90593Z4156450502-bromo-3-chloro-pyridineAM20061647FT-0642324

Datenbank-Bezeichner

CAS: 96424-68-9
PubChem CID: 7016326
DTXSID: DTXSID80426820
EC Number: 678-771-3
Nikkaji: J432.977E

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: 78,8

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-63 °C
Siedepunkt: 223.9 · 223.9±20.0 °C(Predicted)
Dichte: 1.736 · 1.736±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -1.49 · -1.49±0.10(Predicted)
Farbe: White to Almost white
BRN: 1561638 · 1561638
InChI: 1S/C5H3BrClN/c6-5-4(7)2-1-3-8-5/h1-3H
InChIKey: GOHBBINNYAWQGO-UHFFFAOYSA-N
SMILES: Clc1cccnc1Br
CAS Datenbank: 96424 · 96424-68-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
packing_group: I
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Bromo-3-chloropyridine is a commonly used reagent in organic synthesis or chemical reactions. It can be used to prepare other organic substances such as 4-aryl-2-aminobutyric acid and 3-halogeno-2-(hetero)arylthieno[2,3-b]pyridine, or to participate in substitution, coupling/hydrogenation, and catalytic reactions.