Grundinformationen
- Standard-SMILES
Cc1csc(C)c1- InChIKey
CPULIKNSOUFMPL-UHFFFAOYSA-N- Summenformel
- C6H8S
- Durchschnittliche Molmasse
- 112,19 g/mol
- Monoisotopische Masse
- 112,03467126
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dimethylthiophene
- IUPAC
- 2,4-dimethylthiophene
- Lokaler Name
- 2,4-Dimethylthiophen
- Englischer Name
- 2,4-Dimethylthiophene
- Summenformel
- C6H8S
- Molmasse
- 112.19
Namen und Synonyme
2,4-Dimethylthiophene638-00-6Thiophene, 2,4-dimethyl-2,4-dimethyl-thiopheneQ9B2TF3UVCEINECS 211-312-3UNII-Q9B2TF3UVCDTXSID40213238RefChem:82557DTXCID40135729211-312-3CPULIKNSOUFMPL-UHFFFAOYSA-N
Weitere Namen anzeigen
2,4-dimethylthiophene CAS NO.638-00-62,4-DIMETHYLTHIOPHENE ISO 9001:2015 REACH2,4-Dimethylthiophene, 95%, for synthesis
MFCD00130082SCHEMBL40746SCHEMBL126931SCHEMBL128534SCHEMBL131474SCHEMBL133055orb30233452,4-Dimethylthiophene in isooctane
Datenbank-Bezeichner
- CAS
638-00-6- PubChem CID
- 34296
- DTXSID
DTXSID40213238- UNII
- Q9B2TF3UVC
- EC Number
- 211-312-3
- Nikkaji
- J110.441A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 61,2
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
Boiling Point139.00 to 141.00 °C. @ 760.00 mm Hg
Physikochemische Eigenschaften
- Schmelzpunkt
- -66.9 °C · -66.9°C (estimate)
- Siedepunkt
- 139 · 139-141°C
- Dichte
- 0 · 0,994 g/cm3
- Brechungsindex
- 1.5078 · 1.5078
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- liquid (estimate)
- Henry's Law Constant
- 1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- InChI
- InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
- InChIKey
- CPULIKNSOUFMPL-UHFFFAOYSA-N
- SMILES
- C1(C)SC=C(C)C=1
- LogP
- 2.595 · 2.595 (est)
- CAS Datenbank
- 638 · 638-00-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 2 (33.3%)
Sicherheitsdaten
- ridadr
- 1993
- hs_code
- 29349990
- risk_code
- 10-36/37/38
- safety_code
- 16-36/37/39-26
- hazard_class
- IRRITANT
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
Verwenden2,4-Dimethylthiophene is a biochemical used for proteomics and food research.
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