2,3-Dimethylthiophen

2,3-Dimethylthiophene

HCID 34295

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Grundinformationen

CAS: 632-16-6
Standard-SMILES: Cc1ccsc1C
InChIKey: BZYUMXXOAYSFOW-UHFFFAOYSA-N
Summenformel: C6H8S
Durchschnittliche Molmasse: 112,19 g/mol
Monoisotopische Masse: 112,03467126

Namen und Bezeichner

Bevorzugter Name: 2,3-Dimethylthiophene
IUPAC: 2,3-dimethylthiophene
Lokaler Name: 2,3-Dimethylthiophen
Englischer Name: 2,3-Dimethylthiophene
Summenformel: C6H8S
Molmasse: 112.19

Namen und Synonyme

2,3-Dimethylthiophene632-16-6Thiophene, 2,3-dimethyl-2,3-dimethyl-thiopheneVJY61TQ8W6EINECS 211-170-2UNII-VJY61TQ8W6DTXSID50212550RefChem:81870DTXCID80135041211-170-2BZYUMXXOAYSFOW-UHFFFAOYSA-N

Weitere Namen anzeigen

thioxeneDimethylthiopene2,3-Dimethylthiophene,97%2,3-DiMethylthiophene, 97% 1GR2,3-Dimethylthiophene in isooctane2,3-Dimethylthiophene ISO 9001：2015 REACH

MFCD001300812.3-DimethylthiopheneDIMETHYLTHIOPHENE2,3-dirnethylthiophene2,3-dimethyl thiophene2,3- dimethyl-thiopheneSCHEMBL113923SCHEMBL129047

Datenbank-Bezeichner

CAS: 632-16-6
PubChem CID: 34295
DTXSID: DTXSID50212550
UNII: VJY61TQ8W6
EC Number: 211-170-2
Nikkaji: J110.440C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 28,2 Å²
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 PropertiesOptical coefficient

Boiling Point138.00 to 140.00 °C. @ 760.00 mm Hg

Melting Point-49 °C

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -49 °C · -49°C
Siedepunkt: 140 · 140-141 C
Dichte: 1.002 g/cm · 1.002 g/cm
Brechungsindex: 1.517 · 1.517-1.521
Flammpunkt: 26 ° · 26° (79°F)
storage temp.: Flammables area
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Insoluble in water.
Henry's Law Constant: 1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI: InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKey: BZYUMXXOAYSFOW-UHFFFAOYSA-N
SMILES: C1(C)SC=CC=1C
LogP: 2.502 · 2.502 (est)
CAS Datenbank: 632 · 632-16-6(CAS DataBase Reference)
NIST chemische Informationen: 2 · Thiophene, 2,3-dimethyl-(632-16-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (25%): 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (25%)

Sicherheitsdaten

ridadr: UN1993
hs_code: 29349990
risk_code: 20/21/22-11-36/37/38
hazard_code: Xn-F,Xi,Xn,F
hazard_note: Irritant
safety_code: 9-36/37-33-16-26
hazard_class: 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Anwendungen

VerwendenIt has also been found that 2,3-dimethylthiophene can be formylated to yield a dimethylthiophene aldehyde, which as expected proved to have the aldehyde group in the free a-position.