Thiophene-2-carbaldehyde 2-噻吩甲醛

CAS 98-03-3 MFCD00005429

化学结构图

98-03-3
SMILES: O=Cc1cccs1

化学属性

Mol. FormulaC5H4OS
Mol. Weight112.15
Density1.22
Refractive index1.5860 to 1.5930
Boiling Point198°C at 760 mmHg
Flash Point77°C
TSCAYes
Solubility不溶
Melting Point<10
Stability对空气敏感
Appearance liquid (clear)

别名和识别编码

Chemical NameThiophene-2-carbaldehyde
CAS Number98-03-3
Alfabeta NameTHIOPHENEALDEHYDE 2--
MDL NumberMFCD00005429
EC Number202-629-8
Beilstein Registry Number105819
Synonym 2-Thiophenecarboxaldehyde {LY} 2-Thiophenecarboxaldehyde {} {LY} 2-Thiophenecarboxaldehyde {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Thiophenecarboxaldehyde {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7364
Reaxys-RN105819
Chemical Name Translation2-噻吩甲醛
InChIKeyCNUDBTRUORMMPA-UHFFFAOYSA-N
LabNetwork Molecule IDLN00173865
InChIInChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
Canonical SMILESO=CC1=CC=CS1
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分类

  • {SNA} Aldehydes, Building Blocks, C1 to C6, C4 to C6, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Organic Building Blocks, Thiophenes
  • {uni_hamburg} no charge; sulfur heterocycle; aromatic; 5ring; aldehyde; sulfide; 1fragment

产品应用

  • 用来在有机化合物中引入噻吩基团，例如，将噻吩基团引入二甲基四氢嘧啶。所得产物与双羟萘酸成盐即得制广谱驱虫药噻嘧啶。

相关文献及参考

  • Short: II/25D
  • Beilstein:17,285
  • Short: II/19b

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
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。
  • 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+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • 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
RTECSXM8135000
Storage condition -20°C, protect from light, stored under nitrogen {LY} -20°C, protect from light, stored under nitrogen 0-10 0-10°C 2-8°C Air Sensitive {} {LY} -20°C, protect from light, stored under nitrogen {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} { {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitro
Hazard Codes Xn
UN Number UN 2810 2810 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 915 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: OTS0533616

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 565 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: OTS0533616

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >10 mL/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: OTS0533616

其他信息

  • 检测方法:GC
  • 方法一:由噻吩与二甲基甲酰胺在三氯氧磷存在下缩合，经水解、中和、精制而得。将噻吩和二甲基甲酰胺加入反应锅中，在15℃以下缓缓加入三氯氧磷，逐渐升温至80-90℃，保温3h后，冷却至30℃，加入冰水水解。再经30%氧氧化钠中和，静置分层，水层用四氯化碳提取，提取液经洗涤脱水、回收溶剂、减压蒸馏，得2-噻吩吩醛。
  • Hazard Note:Irritant
  • 用途三:用来在有机化合物中引入噻吩基团，例如，将噻吩基团引入二甲基四氢嘧啶。所得产物与双羟萘酸成盐即得制广谱驱虫药噻嘧啶。
  • 油状液体。易溶于醇、苯和醚，不溶于水。有类似杏仁味。
  • 下游产品:2-噻吩甲胺 --> 2-噻吩乙胺 --> 4,5,6,7-四氢噻吩[3,2-c]吡啶盐酸盐 --> 噻氯匹定 --> 5-苯基噻吩-2-羧酸 --> 3-(2-噻吩)丙酸 --> 噻吩-2,3-二甲醛 --> 噻吩-2-硫代甲酰胺 --> 5-苯基-2-噻吩甲醛 --> DL-Β-(3-噻吩基)丝氨酸 --> 3-(噻吩-2基)丙烯酸甲酯 --> 5-醛基-2-噻吩甲酸 --> 3-氨基-3-(2-噻吩基)丙酸 --> 反式-2-(2-硝基乙烯基)噻吩 --> 4-溴-2-噻吩甲醛 --> 1,3-二甲基-2-(2-噻吩)咪唑烷 --> 4-(2-噻吩基)丁-3-烯-2-酮
  • MSDS 信息:2-Formylthiophene(98-03-3).msds
  • Sigma Aldrich:98-03-3(sigmaaldrich)
  • 2-噻吩甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010279 噻吩-2-甲醛 100g 200元 2011/04/16 T0725 2-噻吩甲醛(含稳定剂HQ) 2-Thiophenaldehyde (stabilized with HQ) 25ML 255元 2011/04/16 T0725 2-噻吩甲醛(含稳定剂HQ) 2-Thiophenaldehyde (stabilized with HQ) 500ML 1990元
  • Alfa Aesar:噻酚-2-甲醛,98+% Thiophene-2-carboxaldehyde, 98+%(98-03-3)
  • TCI Shanghai:2-噻吩甲醛(含稳定剂氢醌) 2-Thiophenaldehyde (stabilized with HQ),>;97.0%(GC)(98-03-3)
  • MOL 文件:98-03-3.mol
  • Acros Organics:2-噻吩甲醛 2-Thiophenecarboxaldehyde, 98%(98-03-3)
  • 上游原料:四氯化碳 --> 氧化钠 --> 2-噻吩
  • F:9
  • 图谱信息:2-噻吩甲醛(98-03-3)红外图谱(IR1) 2-噻吩甲醛(98-03-3)质谱(MS) 2-噻吩甲醛(98-03-3)核磁图( 1 HNMR) 2-噻吩甲醛(98-03-3)核磁图( 13 CNMR)
  • 存储注意事项:氮气保护
  • color:clear yellow
  • 用途二:用作广谱驱虫药噻嘧啶及药物先锋霉素的中间体
  • 外观性质:油状液体。易溶于醇、苯和醚，不溶于水。有类似杏仁味。沸点:198℃密度:1.215闪点:77℃折光率:1.5920
  • 敏感性:Air Sensitive
  • 用途一:用作广谱驱虫药噻嘧啶及药物先锋霉素1、2号等的中间体
  • 海关编码:29349990

系列性分类

  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
  1. Materials Science 材料科学
  2. Reagents for Conducting Polymer Research
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)