2-Thiopheneacetyl chloride
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Grundinformationen
- CAS
39098-97-0- 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 StruktureigenschaftenWird ergänzt
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 45,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 116
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
- Aggregatzustand
- Liquid
- Farbe
- Clear brown
- Wichte
- 1.303 · 1.303
- Wasserlöslichkeit
- Reacts with water.
- BRN
- 114547 · 114547
- InChIKey
- AJYXPNIENRLELY-UHFFFAOYSA-N
- CAS Datenbank
- 39098 · 39098-97-0(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Thiopheneacetyl chloride (39098-97-0)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
Reactivity Profile
THIOPHENE-2-ACETYL CHLORIDE is incompatible with water, bases (including amines), with strong oxidizing agents, and with alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
Air and Water ReactionsInsoluble in water. Decomposes exothermically in water yielding fumes of toxic hydrogen chloride.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
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
- hazard_code
- C
- safety_code
- 26-28-36/37/39-45-8-30-23
- hazard_class
- 8
- packing_group
- III
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2-Thiopheneacetyl chloride: ACTIVE
Anwendungen
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.
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