5-Acetylthiophene-2-carboxylic acid

HCID 3742727
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Grundinformationen

CAS
4066-41-5
Standard-SMILES
CC(=O)c1ccc(C(=O)O)s1
InChIKey
LIKIMWYKJUFVJP-UHFFFAOYSA-N
Summenformel
C7H6O3S
Durchschnittliche Molmasse
170,19 g/mol
Monoisotopische Masse
170,00376505

Namen und Bezeichner

Bevorzugter Name
5-Acetylthiophene-2-carboxylic acid
IUPAC
5-acetylthiophene-2-carboxylic acid
Englischer Name
5-Acetylthiophene-2-carboxylic acid
Summenformel
C7H6O3S
Molmasse
170.19

Namen und Synonyme

5-acetylthiophene-2-carboxylic acid4066-41-55-acetyl-2-thiophenecarboxylic acidDTXSID90395811RefChem:531914DTXCID80346670609-857-02-Thiophenecarboxylic acid, 5-acetyl-5-Carboxy-2-acetylthiopheneMFCD000555125-acetyl-thiophene-2-carboxylic acid5-Acetyl-2-thenoic Acid
Weitere Namen anzeigen
5-Acetyl-2-thiophenecarboylic acidAKOS MSC-0226BUTTPARK 121\06-15RARECHEM AL BO 0535Arotinolol impurity 2LABOTEST-BB LT00454683Ripretinib Impurity 265-Acetylthiophene-2-carboxy
STR052165-acetyl-2-thiophene-carboxylic acidNCGC00329121-01Z104378254AM99025-acetyl-thiophen-2-carbSCHEMBL593258CS-B1379

Datenbank-Bezeichner

CAS
4066-41-5
PubChem CID
3742727
DTXSID
DTXSID90395811
EC Number
609-857-0
Nikkaji
J25.420G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
82,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
210 · 210-212°C
Siedepunkt
385.2 · 385.2±27.0 °C(Predicted)
Dichte
1.383 · 1.383
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
soluble in Methanol
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code
2934999090
risk_code
36/37/38-22
hazard_code
Xi,Xn
hazard_note
Irritant
safety_code
26-36/37/39-36

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung5-Acetylthiophene-2-carboxylic acid is a light yellow crystal with good thermal and chemical stability. It can be dissolved in various organic solvents, such as ethanol, ether, and chloroform, making it easy to handle and process in chemical reactions. It can be used as a raw material to synthesize compounds such as 5-Ethylthiophene-2-carboxylic acid.

Verwenden5-Acetylthiophene-2-carboxylic acid is a intermediate used in the preparation of various 2,5-disubstituted thiophenes.

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

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]
西安祥源植化生物技术有限公司13991954170 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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