Methyl-2-thienylketon

2-Acetylthiophene

HCID 6920CAS 88-15-3
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Grundinformationen

Standard-SMILES
CC(=O)c1cccs1
InChIKey
WYJOVVXUZNRJQY-UHFFFAOYSA-N
Summenformel
C6H6OS
Durchschnittliche Molmasse
126,18 g/mol
Monoisotopische Masse
126,01393581

Überblick

2-Acetylthiophene is an aromatic ketone.

Namen und Bezeichner

Bevorzugter Name
2-Acetylthiophene
IUPAC
1-thiophen-2-ylethanone
Lokaler Name
Methyl-2-thienylketon
Englischer Name
2-Acetylthiophene
Summenformel
C6H6OS
Molmasse
126.18

Namen und Synonyme

2-ACETYLTHIOPHENE88-15-31-(2-Thienyl)ethanoneMethyl 2-thienyl ketone2-Acetothienone2-AcetothiopheneEthanone, 1-(2-thienyl)-Ketone, methyl 2-thienyl2-Thienyl methyl ketone1-(thiophen-2-yl)ethan-1-onealpha-Acetylthiophene5ASO208T20
Weitere Namen anzeigen
AKOS 919362-Acetylthioph2-ACETYLTHIOLE2-Acetylthiophen1-(2-Thienyl)-1-ethanone2-Acylthiophene
NSC-2345DTXSID2058960RefChem:462874DTXCID8048608201-804-61-thiophen-2-yl-ethanone1-(thiophen-2-yl)ethanone1-thiophen-2-ylethanone

Datenbank-Bezeichner

CAS
88-15-3
PubChem CID
6920
DTXSID
DTXSID2058960
ChEMBL
CHEMBL401911
ChEBI
CHEBI:179841
UNII
5ASO208T20
EC Number
201-804-6
Nikkaji
J2.842.079J、J4.289G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
45,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (2-Acetylthiophene) -> IFRA transparency List
LogP · 2 Einträge

1.25

1.27

Flavoring AgentsEU Flavoring substances
Solubility14 mg/mL at 30 °C

Physikochemische Eigenschaften

Schmelzpunkt
10 · 10-11 °C (lit.)
Siedepunkt
214 °C · 214 °C (lit.)
Dichte
1.168 g/mL · 1.168 g/mL at 25 °C (lit.)
Dampfdruck
2.7 hPa · 2.7 hPa (50 °C)
Brechungsindex
20 · n20/D 1.565(lit.)
Flammpunkt
196 °F · 196 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (87.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1479 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Ethanone, 1-(2-thienyl)-

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

Ethanone, 1-(2-thienyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 40 mg/kg; [RTECS] May cause irritation; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Thiophene.
Hazard Classes and CategoriesAcute Tox. 4 (87.6%)

Toxikologische Informationen

Toxicity DataLC50 (rat) = 730 mg/m3/4hr

Sicherheitsdaten

F
13
wgk
3
tsca
TSCA listed
ridadr
UN 2810 6.1/PG 2
hs_code
29349990
RTECS-Nr.
OB6300000

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use ClassificationFragrance Ingredients
General Manufacturing InformationEthanone, 1-(2-thienyl)-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden2-Acetylthiophene(2AT) is used as an intermediate in the manufacturing of drugs like Tiamonium Iodide, Suprofan, Stepronin, Tenonitrozole, Namirotene, etc. 2AT is used as an important precursor to thiophene-2-acetic acid (T2AA) or its acid chloride (Cl) and thiophene-2-carboxylic acid (T2CA) (Cl). It is important that the process used to synthesize 2AT yields the lowest amount of 3- acetylthiophene isomer.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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