HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,5-Dimethylpyridin
3,5-DIMETHYLPYRIDINE · 35L · Lutidine,98% · 3,5-LUTIDINE · 3,5-Lutidine>3,5-Lutidine,99% · 3,5-LUTIDINE, 98+% · 3,5-Dimetylpyridine · Nicotine Impurity 6
Identifikatoren & physikalische Daten
| CAS No. | 591-22-0 |
|---|---|
| Summenformel | C7H9N |
| Durchschnittliche Molmasse | 107,15 g/mol |
| Monoisotopische Masse | 107,07349929 g/mol |
| SMILES | Cc1cncc(C)c1 |
| InChIKey | HWWYDZCSSYKIAD-UHFFFAOYSA-N |
| PubChem CID | 11565 |
| EC No. | 209-708-6 |
| DTXSID | DTXSID5052254 |
| Lokaler Name | 3,5-Dimethylpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 62 |
| Dampfdruck | 1.74 [mmHg]1.5 mm Hg ( 20 °C) |
| Physical Description | LiquidColorless liquid with an unpleasant odor[Alfa Aesar MSDS] |
| Kovats Retention Index | 957.7947.4963964952954974965972987951917924.4980970978.9980.5963.5961.4966967.7155.01141014151419139113901414140014051408 |
| Schmelzpunkt | -9 °C (lit.) |
| Siedepunkt | 169-170 °C (lit.) |
| Dichte | 0.939 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.504(lit.) |
| Flammpunkt | 128 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 6.15(at 25℃) |
| Farbe | Clear yellow |
| Löslichkeit | 33 g/L (20 ºC) |
| Spezifische Wärmekapazität | Cp(liquid): 1.72 J/(g·K), at 25℃ |
| BRN | 105682 |
| Henry-Konstante | 1.4×100 mol/(m3Pa) at 25℃, Andon et al. (1954) |
| InChI | 1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3 |
| InChIKey | HWWYDZCSSYKIAD-UHFFFAOYSA-N |
| SMILES | Cc1cncc(C)c1 |
| LogP (Verteilungskoeffizient) | 1.780 |
| CAS Datenbank | 591-22-0(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 3,5-dimethyl-(591-22-0) |
| EPA chemische Informationen | 3,5-Dimethylpyridine (591-22-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H301+H331 (18.8%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]H301 (71.8%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (28.2%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (48.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (51%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (32.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (67.8%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (10.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (96%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (10.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (24.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (63.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (77.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 11 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. |
|---|---|
| Regulatorische Informationen | Chemical: Pyridine, 3,5-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 18-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/106083,5-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantToxic by ingestion and inhalationHarmful by skin absorption[Alfa Aesar MSDS] See Pyridine. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute Tox. 3 (71.8%)Acute Tox. 4 (28.2%)Acute Tox. 3 (48.3%)Acute Tox. 4 (51%)Skin Corr. 1B (32.2%)Skin Irrit. 2 (67.8%)Skin Sens. 1B (10.7%)Eye Dam. 1 (96%)Acute Tox. 2 (10.7%)Acute Tox. 3 (24.2%)Acute Tox. 4 (63.8%)STOT SE 3 (77.2%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29333999 |
| R-Sätze (R) | 10-20/21/22-36/37/38-41-34-23/25-21 |
| Gefahrensymbole | Xn,F,Xi,T |
| hazard_note | Irritant/Flammable |
| Sicherheitshinweise (S) | 16-26-36-36/37-45-36/37/39 |
| Gefahrenklasse | 3Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3,5-Lutidine is a reactant used in the synthesis of phthalazine and pyrazine compounds, as well as other pharmaceuticals.