5-Bromo-2-methylpyridine

HCID 1201020CAS 3430-13-5

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Grundinformationen

Standard-SMILES: Cc1ccc(Br)cn1
InChIKey: OFKWIQJLYCKDNY-UHFFFAOYSA-N
Summenformel: C6H6BrN
Durchschnittliche Molmasse: 172,02 g/mol
Monoisotopische Masse: 170,96836129

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-methylpyridine
IUPAC: 5-bromo-2-methylpyridine
Englischer Name: 5-Bromo-2-methylpyridine
Summenformel: C6H6BrN
Molmasse: 172.02

Namen und Synonyme

5-Bromo-2-methylpyridine3430-13-5OFKWIQJLYCKDNY-UHFFFAOYSA-DTXSID80360871RefChem:102146DTXCID60311922625-656-0InChI=1/C6H6BrN/c1-5-2-3-6(7)4-8-5/h2-4H,1H35-Bromo-2-picoline2-Methyl-5-bromopyridine5-Bromo-2-methyl-pyridinePyridine, 5-bromo-2-methyl-

Weitere Namen anzeigen

5-BROMOPICOLINE2-Methyl-5-bromopyrid5-Bromo-2-picoline,99%5-broMo-1-Methylpyridine5-bormo-2-methylpyridine

MFCD00661170SY002011EN300-686815-Bromo-2-methylpyridine, >=99.0% (HPLC)3-bromo-6-methylpyridineAC-907/300030235-bromo-2-methyl pyridine3-BROMO-6-PICOLINE

Datenbank-Bezeichner

CAS: 3430-13-5
PubChem CID: 1201020
DTXSID: DTXSID80360871
UNII: TE6DEE6KKS
EC Number: 625-656-0
Nikkaji: J1.687.683F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
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

Schmelzpunkt: 32 · 32-36 °C
Siedepunkt: 74 °C · 74 °C / 17mmHg
Dichte: 1.494 · 1.494±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Solid
pka: 3.59 · 3.59±0.10(Predicted)
Farbe: Off-White to Light Yellow
BRN: 107324 · 107324
InChI: InChI=1S/C6H6BrN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
InChIKey: OFKWIQJLYCKDNY-UHFFFAOYSA-N
SMILES: C1(C)=NC=C(Br)C=C1
CAS Datenbank: 3430 · 3430-13-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 (10.6%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden5-Bromo-2-picoline is a halogenated pyridine derivative used is a building block in the preparation of nitrogen containing heterocyclic compounds.