2-Bromo-5-chloropyridine

HCID 817098CAS 40473-01-6

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Grundinformationen

Standard-SMILES: Clc1ccc(Br)nc1
InChIKey: BZUUVQCSPHPUQA-UHFFFAOYSA-N
Summenformel: C5H3BrClN
Durchschnittliche Molmasse: 192,44 g/mol
Monoisotopische Masse: 190,91373888

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-chloropyridine
IUPAC: 2-bromo-5-chloropyridine
Englischer Name: 2-Bromo-5-chloropyridine
Summenformel: C5H3BrClN
Molmasse: 192.44

Namen und Synonyme

2-Bromo-5-chloropyridine40473-01-6BZUUVQCSPHPUQA-UHFFFAOYSA-DTXSID60355740RefChem:466786DTXCID80306799668-305-7InChI=1/C5H3BrClN/c6-5-2-1-4(7)3-8-5/h1-3H2-Bromo-5-chloro-pyridineMFCD002340065-chloro-2-bromopyridineAC-3174

Weitere Namen anzeigen

IFLAB-BB F2124-02012-broMo-5-chloropyridin2-Brome-5-chloropyridine2-BroMoo-5-chloropyridine2-Beromo-5-chloropyridine2-broMo -5-chlorine pyridine2-Bromo-5-chloropyridine,98%

SY004233EN300-50142AC-907/25004332Pyridine, 2-bromo-5-chloro-2-bromo-5-chloro pyridineBCP22190FT-0600901SCHEMBL132151

Datenbank-Bezeichner

CAS: 40473-01-6
PubChem CID: 817098
DTXSID: DTXSID60355740
EC Number: 668-305-7
Nikkaji: J865.817J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
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: 65 · 65-69 °C
Siedepunkt: 128 °C · 128 °C / 16mmHg
Dichte: 1.736 · 1.736±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -1.49 · -1.49±0.10(Predicted)
Aggregatzustand: Powder
Farbe: Beige to yellow-brown
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C5H3BrClN/c6-5-2-1-4(7)3-8-5/h1-3H
InChIKey: BZUUVQCSPHPUQA-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(Cl)C=C1
CAS Datenbank: 40473 · 40473-01-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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. 3 (92.9%)

Sicherheitsdaten

ridadr: Cool, dry,tightly closed
hs_code: 29339900
risk_code: 36/37/38-20/22-20/2236/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 36/37/39-26-22-22 26 36/37/39-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

VerwendenIt is an important organic intermediate used in agrochemicals, pharmaceuticals and dyestuff fields. It is also used in the synthesis of novel halopyridinylboronic acids and esters.