2,6-Bis(chloromethyl)pyridine

HCID 316654CAS 3099-28-3

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Grundinformationen

Standard-SMILES: ClCc1cccc(CCl)n1
InChIKey: IWQNFYRJSVJWQA-UHFFFAOYSA-N
Summenformel: C7H7Cl2N
Durchschnittliche Molmasse: 176,04 g/mol
Monoisotopische Masse: 174,99555458

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2,6-Bis(chloromethyl)pyridine
IUPAC: 2,6-bis(chloromethyl)pyridine
Englischer Name: 2,6-BIS(CHLOROMETHYL)PYRIDINE
Summenformel: C7H7Cl2N
Molmasse: 176.04

Namen und Synonyme

2,6-Bis(chloromethyl)pyridine3099-28-3DTXSID30311712RefChem:83089DTXCID30262836627-975-0Pyridine, 2,6-bis(chloromethyl)-MFCD001428442,6-Bis-chloromethyl-pyridineNSC244982SCHEMBL7347282,6-Bis(chloromethyl)pyridine, 99%

Weitere Namen anzeigen

α,α'-dichloro-2,6-lutidine2,6-Bis(chloromethyl)pyridine >2,6-Bis(chloromethyl)pyridine 99%2,6-BIS(CHLOROMETHYL)PYRIDINE 98+%ALPHA,ALPHA'-DICHLORO-2,6-LUTIDINE2,6-Bis(chloromethyl)pyridine,α,α′-Dichloro-2,6-lutidine

NSC-244982SY053497EN300-6736672FT-07535612,6-Bis(cA820682SCHEMBL59253102,6-bis-(chloromethyl)pyridine

Datenbank-Bezeichner

CAS: 3099-28-3
PubChem CID: 316654
DTXSID: DTXSID30311712
EC Number: 627-975-0
Nikkaji: J32.657G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 87,6

Physikochemische Eigenschaften

Schmelzpunkt: 73 · 73-78 °C (lit.)
Siedepunkt: 110 °C · 110 °C / 3mmHg
Dichte: 1.275 · 1.275±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
pka: 2.19 · 2.19±0.24(Predicted)
Farbe: White to Almost white
BRN: 116355 · 116355
InChI: InChI=1S/C7H7Cl2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChIKey: IWQNFYRJSVJWQA-UHFFFAOYSA-N
SMILES: C1(CCl)=NC(CCl)=CC=C1
CAS Datenbank: 3099 · 3099-28-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3335
hs_code: 29333990
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Bis(chloromethyl)pyridine may be used in the following studies:Synthesis of a sensitive fluorescent chemosensor for Hg2+, composed of two aminonaphthalimide fluorophores and a receptor of 2,6-bis(aminomethyl)pyridine.Preparation of carbene pincer ligands, required for the preparation of palladium pincer carbene complex.Synthesis of 2-(di-tert-butylphosphinomethyl)-6-diethylaminomethyl)pyridine, PNN ligand.