2-Thiopheneacetyl chloride

HCID 162362CAS 39098-97-0
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Grundinformationen

Standard-SMILES
O=C(Cl)Cc1cccs1
InChIKey
AJYXPNIENRLELY-UHFFFAOYSA-N
Summenformel
C6H5ClOS
Durchschnittliche Molmasse
160,62 g/mol
Monoisotopische Masse
159,97496346

Überblick

Thiophene-2-acetyl chloride appears as a clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract.

Namen und Bezeichner

Bevorzugter Name
2-Thiopheneacetyl chloride
IUPAC
2-thiophen-2-ylacetyl chloride
Englischer Name
2-Thiopheneacetyl chloride
Summenformel
C6H5ClOS
Molmasse
160.62

Namen und Synonyme

2-Thiopheneacetyl chloride39098-97-02-Thienylacetyl chlorideThiophene-2-acetyl chloride2-(2-thienyl)acetyl chloridethienylacetyl chloride3VR2Y6J8UGEINECS 254-290-0DTXSID5068156THIOPHENE-2-ACETIC ACID CHLORIDERefChem:89463thiophen-2-ylacetyl chloride
Weitere Namen anzeigen
SKL1309AKOS BBS-000039192-ThiopheneacetyLTIMTEC-BB SBB0067052-Thiopheneacetyl chArticaine Impurity 2Articaine Impurity 112-thiophenyl chlorideArticaine Impurities1823
DTXCID2039594254-290-0AJYXPNIENRLELY-UHFFFAOYSA-N2-(thiophen-2-yl)acetyl chloride2-Thiophene acetyl chloride2-thiophen-2-ylacetyl chlorideThiopheneacetyl chlorideMFCD00005456

Datenbank-Bezeichner

CAS
39098-97-0
PubChem CID
162362
DTXSID
DTXSID5068156
UNII
3VR2Y6J8UG
EC Number
254-290-0
Nikkaji
J25.366I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
45,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Physical DescriptionThiophene-2-acetyl chloride appears as a clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract.

Physikochemische Eigenschaften

Siedepunkt
105 · 105-106 °C/22 mmHg (lit.) 130-135 °C/90 mmHg (lit.)
Dichte
1.303 g/mL · 1.303 g/mL at 25 °C (lit.)
Dampfdruck
4 mm · 4 mm Hg ( 83 °C)
Brechungsindex
20 · n20/D 1.551(lit.)
Flammpunkt
215 °F · 215 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 110 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 24-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25726
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupSulfides, Organic
Reactivity AlertsWater-Reactive

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Sicherheitsdaten

F
8-10-21
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29349990
risk_code
14-34-37-29

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Thiopheneacetyl chloride: ACTIVE
Anwendungen · 2 Einträge

Beschreibung2-Thiopheneacetyl chloride is used as a reagent to synthesize diamide derivatives of (S)-BINOL. These derivatives display potential anti-inflammatory and anti-arthritis effects. 2-Thiopheneacetyl chloride is also used in the synthesis of Nitrocefin (N493815), a chromogenic substrate that changes colour in the presence of β-lactamases and penicillin-binding proteins.

Verwenden2-Thiopheneacetyl chloride was used in the synthesis of (S)-ethyl-1-(2-thiopheneacetyl)-3-piperidinecarboxylate, nipecotate-containing immunopotentiator, 5-fluorouracil-cephalosporin prodrug, series of new N,N-di(thiopheneacetyl)diamines derivatives and 6-β-(thiophen-2-yl)acetamidomorphine. Also used in the synthesis of Nitrocefin.

Vor- und nachgelagerte Produkte

Anbieter50 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]
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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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