2-Acetylthiophene 2-乙酰基噻吩

CAS 88-15-3 MFCD00005442

化学结构图

88-15-3
SMILES: CC(=O)c1cccs1

化学属性

Mol. FormulaC6H6OS
Mol. Weight126.18
Boiling Point214°C at 760 mmHg
Melting Point10-11°C
Density1.168
Refractive index1.5650 to 1.5680
Flash Point96°C
TSCAYes
pH:A

别名和识别编码

Chemical Name2-Acetylthiophene
CAS Number88-15-3
Alfabeta NameACETYLTHIOPHENE 2-
MDL NumberMFCD00005442
EC Number201-804-6
Beilstein Registry Number107910
Synonym 2-Acetylthiophene {LY} 2-Acetylthiophene {} {LY} 2-Acetylthiophene {} {} {LY} 2-Acetylthiophene {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylthiophene {} {} {} {} {} {} {} {} {}
PubChem Substance ID6920
Reaxys-RN107910
Chemical Name Translation2-乙酰基噻吩
InChIKeyWYJOVVXUZNRJQY-UHFFFAOYSA-N
Wiswesser Line NotationT5SJ BV1
LabNetwork Molecule IDLN00116410
InChIInChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
Canonical SMILESCC(C1=CC=CS1)=O
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分类

  • {SNA} Building Blocks, C4 to C6, Chemical Synthesis, Heterocyclic Building Blocks, Thiophenes
  • {SNA} A-B, A-D, Alphabetical Li
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guideli

产品应用

  • 医药中间体。

相关文献及参考

  • Short: II/27B
  • Short: III/35E
  • Beilstein:17(3/4)4507

安全信息

Warnings TOXIC, STENCH
Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R25 Toxic if swallowed 吞咽有毒
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310
  • P301+P312+P330
  • P302+P350
  • P302+P352+P312+P362+P364
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSOB6300000
Packing GroupII
UN Number 2810 UN 2810 6.1/PG 2 UN2810
Storage condition 2-8°C {LY} 2-8°C Light Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H300 Fatal if swallowed 吞食致命
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 6.1 T T,Xi
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

其他信息

  • 急性毒性:静脉- 小鼠 LD50: 40 毫克/ 公斤
  • MSDS 信息:2-Acetylthiophene(88-15-3).msds
  • 方法一:在磷酸存在下噻吩与乙酐反应将乙酐,85%磷酸和噻吩投入反应锅,搅拌,逐步加热到回流温度(96-97℃)保持回流2.5h,冷却,水洗,分去水层。将所得油层先常压后减压蒸馏,收集蒸出物,静置,分去水层,所得回收噻吩,供下批投料再用。锅内残留的油状物,经减压蒸馏,收集89-90℃(1.33kPa)馏分即得成品。收率85.7%。相似的方法是由噻吩与乙酰氯反应,这个反应是四氯化锡存在下进行的。
  • FEMA:5035
  • 2-乙酰基噻吩价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010276 2-乙酰噻吩 100g 245元 2011/04/16 A0724 2-乙酰基噻吩 2-Acetylthiophene 500G 2050元 2011/04/16 A0724 2-乙酰基噻吩 2-Acetylthiophene 25G 250元
  • 上游原料:乙酰氯
  • Hazard Note:Irritant
  • MOL 文件:88-15-3.mol
  • TCI Shanghai:2-乙酰基噻吩 2-Acetylthiophene,>;98.0%(GC)(88-15-3)
  • 图谱信息:2-乙酰基噻吩(88-15-3)红外图谱(IR1) 2-乙酰基噻吩(88-15-3)核磁图( 13 CNMR) 2-乙酰基噻吩(88-15-3)核磁图( 1 HNMR) 2-乙酰基噻吩(88-15-3)质谱(MS)
  • 类别:易燃液体
  • 敏感性:Light Sensitive
  • Acros Organics:2-乙酰噻吩 2-Acetylthiophene, 98%(88-15-3)
  • 可燃性危险特性:可燃; 加热分解释放有毒氮氧化物和硫氧化物烟雾
  • 用途二:医药中间体。
  • F:13
  • Sigma Aldrich:88-15-3(sigmaaldrich)
  • 储运特性:库房通风低温干燥
  • Alfa Aesar:2-乙酰基噻吩,99% 2-Acetylthiophene, 99%(88-15-3)
  • 毒性分级:高毒
  • 用途一:用作药物中间体
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 下游产品:4-溴噻吩-2-甲酸 --> 5-(2-甲基硫代嘧啶-4-基)噻吩-2-磺酰氯 --> 5-乙酰基-2-噻吩甲醛 --> 5-(噻吩-2-基)-1H-吡唑-3-羧酸 --> 3-(噻吩-2-基)-1H-吡唑-5-羧酸乙酯 --> 2-噻吩乙酸 --> 1-(4-溴-2-噻吩)乙酮 --> 2-溴-1-(2-THIENYL)-1-ETHANONE --> 2-噻吩乙酰胺 --> 1-[2-羟基-2-(2-噻吩基)乙基]溴化吡啶
  • 海关编码:29349990

系列性分类