Thiophene-2-aldehyde 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-aldehyde
CAS Number98-03-3
Alfabeta NameTHIOPHENEALDEHYDE 2--
MDL NumberMFCD00005429
EC Number202-629-8
Beilstein Registry Number105819
Synonym 2-FORMYL THIOPHENE 2-Formylthiofuran 2-Formylthiophene 2-Formylthiophene; 2-Thiophenecarboxaldehyde; 2-Thiophene carboxaldehyde; Thiophene-2-carbaldehyde 2-THENALDEHYDE 2-THIOPHENALDEHYDE 2-THIOPHENEALDEHYDE 2-THIOPHENECARBALDEHYDE 2-THIOPHENECARBOXALDEHYDE 2-Thenaldehyd 2-Thienal 2-Thienaldehyde 2-Thienylaldehyde 2-Thienylcarboxaldehyde 2-Thienylmethanal 2-Thiophenealdehyde 2-Thiophenecarbaldehyde 2-Thiophenecarboxaldehyde {uni_hamburg} 2-thiophen aldehyde 2-thiophenaldeyde(stabilizedwithhq) 2-thiophencarboxaldehyde 2-thiophene 2-thiophene carboxaldehyde 2-thiophene carboxyaldehyde {} {Chemicalbook} 2-thienaldehyd
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 0-10 0-10°C 2-8°C Air Sensitive 密闭充氮冷藏。 对空气敏感,密闭充氮冷藏。
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