2-Ethylthiophen

2-Ethylthiophene

HCID 13388

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Grundinformationen

CAS: 52006-63-0
Standard-SMILES: CCc1cccs1
InChIKey: JCCCMAAJYSNBPR-UHFFFAOYSA-N
Summenformel: C6H8S
Durchschnittliche Molmasse: 112,19 g/mol
Monoisotopische Masse: 112,03467143

Namen und Bezeichner

Bevorzugter Name: 2-Ethylthiophene
IUPAC: 2-ethylthiophene
Lokaler Name: 2-Ethylthiophen
Englischer Name: 2-Ethylthiophene
Summenformel: C6H8S
Molmasse: 112.19

Namen und Synonyme

2-ETHYLTHIOPHENE872-55-9Thiophene, 2-ethyl-EINECS 212-830-2E5616Q8745DTXSID90862452RefChem:472043DTXCID40811213212-830-2o-EthylthiopheneETHYLTHIOPHENE2-ethyl-thiophene

Weitere Namen anzeigen

2-Ethylthiophene99%2-Ethylthiophene>2-Ethylthiophene 97%2-Ethylthiophene ,98%2-Ethylthiophene, GC 99%2-Ethylthiophene ISO 9001：2015 REACH

MFCD0000546152006-63-02-ethyl thiophene2-Ethylthiophene, 97%SCHEMBL55039SCHEMBL91161SCHEMBL126623SCHEMBL127120

Datenbank-Bezeichner

CAS: 52006-63-0、872-55-9
PubChem CID: 13388
DTXSID: DTXSID90862452
UNII: E5616Q8745
EC Number: 212-830-2
Nikkaji: J111B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 52

Experimentelle und physikochemische Eigenschaften

LogP2.87

Solubility0.292 mg/mL at 25 °C

Boiling Point133.00 °C. @ 760.00 mm Hg

Kovats Retention Index · 3 Einträge

846；847；861；844；844；837；861；850；861.3；847；830；845；846；845；846；851

871；871；880；870；870；872；872；869；868；874；871；845；850；905；845；850；905；868；871；862.8

1179；1170；1172；1177；1177；1170；1167；1161；1162；1191；1179；1185；1183；1162；1173；1180；1182；1180；1182；1182.6

Physikochemische Eigenschaften

Schmelzpunkt: -66.9 °C · -66.9°C (estimate)
Siedepunkt: 132 · 132-134 °C (lit.)
Dichte: 0.99 g/mL · 0.99 g/mL at 25 °C (lit.)
Dampfdruck: 60.9 at · 60.9 at 60.3 °C, 92.2 at 70.3 °C, 136 at 80.3 °C, 197 at 90.3 °C, 280 at 100.3 °C (Eon et al., 1971)
Brechungsindex: 20 · n20/D 1.513(lit.)
Flammpunkt: 70 °F · 70 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 0.29 g/l · 0.29g/l
Aggregatzustand: liquid (estimate)
Wichte: 0.99 · 0.990
Farbe: yellow-green
Wasserlöslichkeit: Not miscible or difficult to mix with water.
BRN: 105402 · 105402
Henry's Law Constant: 1.4 · 1.4×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKey: JCCCMAAJYSNBPR-UHFFFAOYSA-N
SMILES: CCc1cccs1
LogP: 2.87 · 2.870
CAS Datenbank: 872 · 872-55-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · Thiophene, 2-ethyl-(872-55-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (66%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (66%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 141 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

Regulatory Information · 3 Einträge

Chemical: Thiophene, 2-ethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Thiophene, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (95.7%)；Acute Tox. 4 (66%)；Acute Tox. 4 (66%)；Acute Tox. 4 (66%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Thiophene, 2-ethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Thiophene, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 8-10-13-23
wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29349990
risk_code: 10-36/37/38-37-11
hazard_code: Xi,F
hazard_note: Irritant
safety_code: 23-24/25-37/39-26-16-33-29-7/9
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Anwendungen

Verwenden2-Ethylthiopheneis used in production of bispyranilidenes, dithiobispyranilidenes and diselenobispyranilidene for electronic or optoelectronic components with high efficiencies.