3,4-Dimethylpyridin

3,4-Dimethylpyridine

HCID 11417CAS 583-58-4

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Grundinformationen

Standard-SMILES: Cc1ccncc1C
InChIKey: NURQLCJSMXZBPC-UHFFFAOYSA-N
Summenformel: C7H9N
Durchschnittliche Molmasse: 107,15 g/mol
Monoisotopische Masse: 107,07349929

Namen und Bezeichner

Bevorzugter Name: 3,4-Dimethylpyridine
IUPAC: 3,4-dimethylpyridine
Lokaler Name: 3,4-Dimethylpyridin
Englischer Name: 3,4-Lutidine
Summenformel: C7H9N
Molmasse: 107.15

Namen und Synonyme

3,4-Lutidine3,4-DIMETHYLPYRIDINEPyridine, 3,4-dimethyl-UNII-FCU895KJ7HNSC 4675EINECS 209-511-5FCU895KJ7H3,4-LutideneBRN 0106583NSC-4675DTXSID10522445-20-06-00054 (Beilstein Handbook Reference)

Weitere Namen anzeigen

34L4-Lutidine3,4-Lutidine98%(T)3,4-Lutidine3,4-LUTIDINE 98%AKOS BBS-000043914-DiMethylpyridine

3,4lutidine3,4Dimethylpyridin3,4DimetilpiridinaPyridine, 3,4dimethylRefChem:91225DTXCID6030815UN2929InChI=1/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H

Datenbank-Bezeichner

CAS: 583-58-4
PubChem CID: 11417
DTXSID: DTXSID1052244
UNII: FCU895KJ7H
EC Number: 209-511-5
Nikkaji: J7.443H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 70,8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Flavoring AgentsEU Flavoring substances

Vapor Pressure1.24 [mmHg]

Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionColorless to light yellow liquid; [Jubilant Life Sciences MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -12 °C · -12 °C
Siedepunkt: 163 · 163-164 °C(lit.)
Dichte: 0.954 g/mL · 0.954 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.511(lit.)
Flammpunkt: 129 °F · 129 °F
storage temp.: Flammables area
pka: 6.46 · 6.46(at 25℃)
Aggregatzustand: clear liquid
Farbe: yellow
Wasserlöslichkeit: 52 g/L · 52 g/L (20 ºC)
Spezifische Wärmekapazität: 1.79 J/ · Cp(liquid): 1.79 J/(g·K), at 25℃
BRN: 106583 · 106583
Henry's Law Constant: 2.7 · 2.7×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
Dielectric constant: 11.47 · 11.470000000000001
LogP: 1.749 · 1.749 (est)
CAS Datenbank: 583 · 583-58-4(CAS DataBase Reference)
NIST chemische Informationen: 3 · Pyridine, 3,4-dimethyl-(583-58-4)
EPA chemische Informationen: 3 · 3,4-Dimethylpyridine (583-58-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Pyridine, 3,4-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

3,4-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful by ingestion and inhalation; Toxic by skin absorption; [Jubilant Life Sciences MSDS] See Pyridine.

Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)

Toxikologische Informationen

Toxicity DataLCLo (rat) = 500 ppm/4hr

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2929 6.1/PG 2
hs_code: 29333999
RTECS-Nr.: OK9800000
risk_code: 10-23/24/25-36/37/38-24-20/22-23/24-22
hazard_code: T,F,Xi
safety_code: 16-26-36/37/39-45
hazard_class: 6.1
packing_group: II

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as an intermediate in drug manufacture; [Jubilant Life Sciences MSDS]

General Manufacturing InformationPyridine, 3,4-dimethyl-: ACTIVE

Anwendungen

Verwenden3,4-Lutidine is used as an intermediate in the preparation of active pharmaceutical ingredient. It is used to prepare tetrhydropyridine derivatives by reduction.