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Grundinformationen
- CAS
625-82-1- Standard-SMILES
Cc1c[nH]c(C)c1- InChIKey
MFFMQGGZCLEMCI-UHFFFAOYSA-N- Summenformel
- C6H9N
- Durchschnittliche Molmasse
- 95,14 g/mol
- Monoisotopische Masse
- 95,07349929
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dimethylpyrrole
- IUPAC
- 2,4-dimethyl-1H-pyrrole
- Lokaler Name
- 2,4-Dimethyl-1H-pyrrol
- Englischer Name
- 2,4-Dimethylpyrrole
- Summenformel
- C6H9N
- Molmasse
- 95.14
Namen und Synonyme
2,4-Dimethylpyrrole2,4-Dimethyl-1H-pyrrole625-82-1YNQ49M599XNSC-81347DTXSID80211551RefChem:443726DTXCID10134042210-912-21H-Pyrrole, 2,4-dimethyl-Pyrrole, 2,4-dimethyl-MFCD00192088
Weitere Namen anzeigen
pyrrole,2,4-dimethyl-2,4-DiMethyl-1-pyrrole2,4-Dimethylpyrrole>2,4-Dimethylpyrrole 98%2,4-Dimethylpyrrole,97%2,4-Dimethylpyrrole ,98%
EINECS 210-912-22,4-dimethyl-1H-pyrrol2,4-Dimethylpyrrole, 97%NSC 81347AKOS006222322CS-W011342D2848EN300-106741
Datenbank-Bezeichner
- CAS
625-82-1- PubChem CID
- 39539
- DTXSID
DTXSID80211551- ChEMBL
CHEMBL3976159- UNII
- YNQ49M599X
- EC Number
- 210-912-2
- Nikkaji
- J102.047A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 15,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 61
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
842
842
1612.7
Physikochemische Eigenschaften
- Schmelzpunkt
- 6.5 °C · 6.5°C (estimate)
- Siedepunkt
- 165 · 165-167 °C (lit.)
- Dichte
- 0.924 g/mL · 0.924 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.496(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 18.03 · 18.03±0.50(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Orange-red to maroon, brown or violet
- Stabilität
- Light Sensitive
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (70.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (30.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (69.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (30.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (29.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (69.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 149 reports by companies from 8 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 (70.5%)；Skin Irrit. 2 (30.2%)；Eye Dam. 1 (69.8%)；Eye Irrit. 2 (30.2%)；STOT SE 3 (29.5%)；Aquatic Chronic 2 (69.8%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
Chemie und Industrie
Anwendungen
Verwenden2,4-Dimethylpyrrole is a substituted pyrrole. Its synthesis by using ethyl acetoacetate as starting material has been reported. Its basicity has been evaluated from UV spectral data.Its photodecomposition on irradiation has been reported to afford H2, CH4, C2H6 and polymeric products. 2,4-Dimethylpyrrole may be used in the synthesis of the following: 2,5-bis(2′,4′-dimethyl-5′-pyrryl)p-benzoquinone. boron dipyrromethene (BODIPY) dyes. 2,4-dimethyl-6-methoxyprodigiosene.
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