4-Bromo-2-(chloromethyl)pyridine

HCID 53302022

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Grundinformationen

CAS: 1001463-32-6
Standard-SMILES: ClCc1cc(Br)ccn1
InChIKey: JJTOQZAHQZOCKN-UHFFFAOYSA-N
Summenformel: C6H5BrClN
Durchschnittliche Molmasse: 206,47 g/mol
Monoisotopische Masse: 204,92939

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-(chloromethyl)pyridine
IUPAC: 4-bromo-2-(chloromethyl)pyridine
Englischer Name: 4-bromo-2-(chloromethyl)pyridine
Summenformel: C6H5BrClN
Molmasse: 206.47

Namen und Synonyme

4-BROMO-2-(CHLOROMETHYL)PYRIDINE1001463-32-6DTXSID70693281RefChem:290638DTXCID10644030972-091-3Pyridine, 4-bromo-2-(chloromethyl)-4-bromo-2-chloromethylpyridineSCHEMBL31967614-bromo-2-chloromethyl-pyridineSCHEMBL29439047JJTOQZAHQZOCKN-UHFFFAOYSA-N

Weitere Namen anzeigen

(3-Bromo-2-pyridinyl)methanol

BQB46332MFCD13189213AB67964DB-058311CS-0089001D74784F610900

Datenbank-Bezeichner

CAS: 1001463-32-6
PubChem CID: 53302022
DTXSID: DTXSID70693281
EC Number: 972-091-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 89

Physikochemische Eigenschaften

InChI: InChI=1S/C6H5BrClN/c7-5-1-2-9-6(3-5)4-8/h1-3H,4H2
InChIKey: JJTOQZAHQZOCKN-UHFFFAOYSA-N
SMILES: C1(CCl)=NC=CC(Br)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.