2-Brom-6-methylpyridin

2-Bromo-6-methylpyridine

HCID 79205CAS 5315-25-3

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Grundinformationen

Standard-SMILES: Cc1cccc(Br)n1
InChIKey: SOHDPICLICFSOP-UHFFFAOYSA-N
Summenformel: C6H6BrN
Durchschnittliche Molmasse: 172,02 g/mol
Monoisotopische Masse: 170,96836129

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-6-methylpyridine
IUPAC: 2-bromo-6-methylpyridine
Lokaler Name: 2-Brom-6-methylpyridin
Englischer Name: 2-Bromo-6-methylpyridine
Summenformel: C6H6BrN
Molmasse: 172.02

Namen und Synonyme

2-Bromo-6-methylpyridine5315-25-3Pyridine, 2-bromo-6-methyl-DTXSID70201229EINECS 226-173-4AI3-62420RefChem:85816DTXCID20123720226-173-42-Bromo-6-picoline6-Bromo-2-picoline2-bromo-6-methyl-pyridine

Weitere Namen anzeigen

2-Bromo-6-methyL6-Bromo-2-picoline,97%2-Brom-6-methylpyridin2-Bromo-6-methylpyrdine2-bormo-6-methylpyridine2-BROMO-6-MEFHYL PYRIDINEBromomethylpyridine,ca.97%

6-bromo-2-methylpyridine2-Bromo-6-Methyl PyridineMFCD000407436-bromopicolineSCHEMBL103431AKOS005255682CS-W002190SY001968

Datenbank-Bezeichner

CAS: 5315-25-3
PubChem CID: 79205
DTXSID: DTXSID70201229
EC Number: 226-173-4
Nikkaji: J297.999C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 74,9

Physikochemische Eigenschaften

Siedepunkt: 102 · 102-103 °C/20 mmHg (lit.)
Dichte: 1.512 g/mL · 1.512 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.562(lit.)
Flammpunkt: 207 °F · 207 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform, Ethyl Aceate
Aggregatzustand: Liquid
pka: 1.51 · 1.51±0.10(Predicted)
Wichte: 1.512 · 1.512
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Soluble in chloroform, ethyl aceate. Not miscible or difficult to mix with water.
BRN: 107322 · 107322
InChI: InChI=1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
InChIKey: SOHDPICLICFSOP-UHFFFAOYSA-N
SMILES: C1(Br)=NC(C)=CC=C1
CAS Datenbank: 5315 · 5315-25-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (11.8%)

CSL Reaction Information · 6 Einträge

CSL00076

3-CHLOROPEROXYBENZOIC ACID + 2-BROMO-6-METHYLPYRIDINE

exploded on the rotovap after work up

Explosive

User-Reported

7/8/18

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Bromo-6-methylpyridine is a halogenated pyridine derivative used is a building block in the preparation of nitrogen containing heterocyclic compounds.