2,3,5-Trimethylpyridine (HCID 12759)

Namen und Bezeichner

Bevorzugter Name: 2,3,5-Trimethylpyridine
IUPAC: 2,3,5-trimethylpyridine
Lokaler Name: 2,3,5-Trimethylpyridin
Englischer Name: 2,3,5-Collidine
Summenformel: C8H11N
Molmasse: 121.18

Namen und Synonyme

2,3,5-Trimethylpyridine695-98-72,3,5-COLLIDINEPyridine, 2,3,5-trimethyl-EINECS 211-786-133642OT638DTXSID80219734UNII-33642OT638RefChem:81413DTXCID30142225211-786-1GFYHSKONPJXCDE-UHFFFAOYSA-N

Weitere Namen anzeigen

2,3,5-TrimethyL235CO5-Collidine2,3,5-Collidine, 98%3,5-Trimethylpyridine2,3,5-Collidine, 99+%

2,3,5-Trimethyl pyridineMFCD001268402,3,5-trimethyl-pyridineEsomeprazole Impurity 92,3,5-Trimethyl-pyridinEsomeprazole Impurity 111SCHEMBL74872,3,5-Collidine, 99%

Datenbank-Bezeichner

CAS: 695-98-7
PubChem CID: 12759
DTXSID: DTXSID80219734
UNII: 33642OT638
EC Number: 211-786-1
Nikkaji: J45.579B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 90

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 3 Einträge

1055；1060；1045.2

1076

1484

Physikochemische Eigenschaften

Schmelzpunkt: -56.98 °C · -56.98°C (estimate)
Siedepunkt: 184 °C · 184 °C(lit.)
Dichte: 0.931 g/mL · 0.931 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.508(lit.)
Flammpunkt: 165 °F · 165 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 6.53 · 6.53±0.20(Predicted)
Aggregatzustand: Liquid
Wichte: 0.94 · 0.94
Farbe: Clear colorless to very slightly yellow
Wasserlöslichkeit: SLIGHTLY SOLUBLE
BRN: 108832 · 108832
InChI: 1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3
InChIKey: GFYHSKONPJXCDE-UHFFFAOYSA-N
SMILES: Cc1cnc(C)c(C)c1
CAS Datenbank: 695 · 695-98-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · Pyridine, 2,3,5-trimethyl-(695-98-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (10.4%)；Acute Tox. 4 (10.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10.4%)；STOT SE 3 (95.8%)

Sicherheitsdaten

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,T,Xn
hazard_note: Toxic
safety_code: 26-36-36/37
hazard_class: 6.1
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,3,5-Collidine is omeprazole intermediate which is the drug involved in proton pump inhibitors to block the production of stomach acid. It is used in the manufacture vitamin D3.