4,4'-Dimethyl-2,2'-bipyridyl

4,4'-Dimethyl-2,2'-bipyridine

HCID 14338CAS 1134-35-6

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Grundinformationen

Standard-SMILES: Cc1ccnc(-c2cc(C)ccn2)c1
InChIKey: NBPGPQJFYXNFKN-UHFFFAOYSA-N
Summenformel: C12H12N2
Durchschnittliche Molmasse: 184,24 g/mol
Monoisotopische Masse: 184,10004838

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 4,4'-Dimethyl-2,2'-bipyridine
IUPAC: 4-methyl-2-(4-methyl-2-pyridinyl)pyridine
Lokaler Name: 4,4'-Dimethyl-2,2'-bipyridyl
Englischer Name: 4,4'-Dimethyl-2,2'-bipyridyl
Summenformel: C12H12N2
Molmasse: 184.24

Namen und Synonyme

1134-35-64,4'-Dimethyl-2,2'-bipyridine2,2'-Bi-4-picoline2,2'-BIPYRIDINE, 4,4'-DIMETHYL-DTXSID3061552NSC-3261H79UAE6A72RefChem:96269DTXCID1033325214-483-24,4'-Dimethyl-2,2'-bipyridyl4,4'-Dimethyl-2,2'-dipyridyl

Weitere Namen anzeigen

dmbpyd-MebpyDiMethyl-2,2-dipBipicoline,98%-2,2'-dipyridyL2,2'-DI-4-PICOLYLTIMTEC-BB SBB008769

4-methyl-2-(4-methylpyridin-2-yl)pyridineMFCD000064412,2'-Bi(gamma-picoline)2,2'-Bipyridyl, 4,4'-dimethyl-EINECS 214-483-24,4'dimethyl 2,2'bipyridineCHEMBL1011654,4'-dimethyl 2,2'-bipyridine

Datenbank-Bezeichner

CAS: 1134-35-6
PubChem CID: 14338
DTXSID: DTXSID3061552
ChEMBL: CHEMBL101165
UNII: H79UAE6A72
EC Number: 214-483-2
Nikkaji: J23.947J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 161

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines

Physical DescriptionWhite to pale orange crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 169 · 169-174 °C(lit.)
Siedepunkt: 308.2 °C · 308.2°C (rough estimate)
Dichte: 1.116 · 1.1160 (rough estimate)
Brechungsindex: 1.6266 · 1.6266 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chlorofrom (Slightly), DMSO (Slightly)
Aggregatzustand: Crystalline Powder
pka: 5.1 · 5.10±0.30(Predicted)
Farbe: Beige
Wasserlöslichkeit: 2 · Soluble in ethanol, acetic acid, benzene, toluene. Highly soluble in water at pH < 2.
BRN: 128995 · 128995
InChI: 1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
InChIKey: NBPGPQJFYXNFKN-UHFFFAOYSA-N
SMILES: Cc1ccnc(c1)-c2cc(C)ccn2
CAS Datenbank: 1134 · 1134-35-6(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,2'-Bipyridine, 4,4'-dimethyl-(1134-35-6)
EPA chemische Informationen: 4 · 4,4'-Dimethyl-2,2'-bipyridine (1134-35-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryIntraperitoneal LD50 (mouse) = 78.7 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 4,4'-Bipyridine.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29339900
RTECS-Nr.: DW1765000
risk_code: 36/37/38-22
Toxizität: mouse,LD50,intraperitoneal,78700ug/kg (78.7mg/kg),Toxicon. Vol. 23, Pg. 815, 1985.
hazard_code: Xi,Xn
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3