| Identification | More | [Name]
2-Thiopheneacetyl chloride | [CAS]
39098-97-0 | [Synonyms]
2-(2-THIENYL)ACETYL CHLORIDE
2-THIENYLACETYL CHLORIDE
2-THIOPHENEACETYL CHLORIDE
AKOS BBS-00003919
THIOPHENE-2-ACETYL CHLORIDE
TIMTEC-BB SBB006705
2-Thiopheneacethylchloride
2-Thienylacetic acid chloride
2-Thiopheneacetic acid, chloride
thiophene-2-acetyl chloride(corrosive liquids,n.o.s.)
2-THIOPHENEACETYL CHLORIDE 98+%
2-THIOPHENEACETYL CHLORIDE 98.5%
Thien-2-ylacetyl chloride
Thiophene-2-acetic acid chloride | [EINECS(EC#)]
254-290-0 | [Molecular Formula]
C6H5ClOS | [MDL Number]
MFCD00005456 | [Molecular Weight]
160.62 | [MOL File]
39098-97-0.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR BROWN LIQUID | [Boiling point ]
105-106 °C/22 mmHg (lit.)
130-135 °C/90 mmHg (lit.) | [density ]
1.303 g/mL at 25 °C(lit.)
| [vapor pressure ]
4 mm Hg ( 83 °C)
| [refractive index ]
n20/D 1.551(lit.)
| [Fp ]
215 °F
| [storage temp. ]
2-8°C
| [form ]
Liquid | [color ]
Clear brown | [Specific Gravity]
1.303 | [Water Solubility ]
Reacts with water. | [Sensitive ]
Moisture Sensitive | [Detection Methods]
NMR | [BRN ]
114547 | [InChIKey]
AJYXPNIENRLELY-UHFFFAOYSA-N | [CAS DataBase Reference]
39098-97-0(CAS DataBase Reference) | [Storage Precautions]
Moisture sensitive | [EPA Substance Registry System]
39098-97-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R14:Reacts violently with water.
R34:Causes burns.
R37:Irritating to the respiratory system.
R29:Contact with water liberates toxic gas. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S8:Keep container dry .
S30:Never add water to this product .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [RIDADR ]
UN 3265 8/PG 2
| [WGK Germany ]
3
| [F ]
8-10-21 | [TSCA ]
T | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29349990 |
| Hazard Information | Back Directory | [General Description]
A clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract. | [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 & Water Reactions]
Insoluble in water. Decomposes exothermically in water yielding fumes of toxic hydrogen chloride. | [Health Hazard]
TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. | [Fire Hazard]
Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. | [Description]
2-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. | [Chemical Properties]
CLEAR BROWN LIQUID | [Uses]
2-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. | [Synthesis]
In the four-hole boiling flask with mechanical stirring, thermometer, air guide outlet, add 100g 2-thiophene acetic acid; 350g methylene dichloride, stirs and is warming up to 37 DEG C, starts to drip 250g sulfur oxychloride under the protection of nitrogen; within 1.5 hours, drip off insulation reaction 2.5 hours at this temperature.The methylene dichloride of underpressure distillation remnants, continues to distill obtaining 2-thiophen acetyl chloride 102.5g, and yield reaches 91.5%. |
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