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-Ace
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

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. A-D - Kosher Certified Products
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazolines/Thiazolidines 噻唑啉/噻唑烷
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiophenes 噻吩
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiophenes 噻吩
  5. C4 to C6 - Thiophenes