3-Thiophenecarboxylic Acid 3-噻吩甲酸

CAS 88-13-1 MFCD00005467

化学结构图

88-13-1
SMILES: O=C(O)c1ccsc1

化学属性

Mol. FormulaC5H4O2S
Mol. Weight128.15
Melting Point136-141°C
Density1.422
TSCANo
Solubility4.3 G/L (25 ºC)
Appearance 无色针状结晶。
Boiling Point271°C at 760 mmHg

别名和识别编码

Chemical Name3-Thiophenecarboxylic Acid
CAS Number88-13-1
Alfabeta NameTHIOPHENECARBOXYLICACID 3--
MDL NumberMFCD00005467
EC Number201-802-5
Beilstein Registry Number1994
Synonym Thiophene-3-carboxylic acid {LY} Thiophene-3-carboxylic acid {} {LY} Thiophene-3-carboxylic acid {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thiophene-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {}
Merck Number9279
PubChem Substance ID87576880
Reaxys-RN1994
Chemical Name Translation3-噻吩甲酸
Wiswesser Line NotationT5SJ CVQ
LabNetwork Molecule IDLN00008384
Canonical SMILESO=C(C1=CSC=C1)O
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分类

  • {SNA} Building Blocks, C4 to C6, Chemical Synthesis, Heterocyclic Building Blocks, Thiophenes
  • {uni_hamburg} no charge; sulfur heterocycle; aromatic; 5ring; carboxylic acid; sulfide; 1fragment

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • Short: LC Title: LiqCryst 4.6 - Database of Liquid Crystals Author: Vill, V. Year: 2005 Keyword: Flüssigkristalle; LCD; Phasenumwandlung Internet Resource: http://liqcryst.chemie.uni-hamburg.de/
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journa

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • S36/37/39 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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
RTECSXM8330300
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 26,831,1971

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light Store at room temperature {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, pr

其他信息

  • 3-噻吩甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1084 3-噻吩甲酸 3-Thenoic Acid 25G 690元 2014/06/02 T1084 3-噻吩甲酸 3-Thenoic Acid 5G 198元 2010/06/21 CC13101DA 3-噻吩甲酸 thiophene-3-carboxylic acid 1 GR 585元
  • 用途一:用作有机合成试剂
  • MOL 文件:88-13-1.mol
  • 图谱信息:3-噻吩甲酸(88-13-1)红外图谱(IR1) 3-噻吩甲酸(88-13-1)红外图谱(IR2) 3-噻吩甲酸(88-13-1)核磁图( 13 CNMR) 3-噻吩甲酸(88-13-1)质谱(MS) 3-噻吩甲酸(88-13-1)核磁图( 1 HNMR)
  • TCI Shanghai:3-噻吩甲酸 3-Thenoic Acid,>;97.0%(GC)(T)(88-13-1)
  • Hazard Note:Irritant
  • 下游产品:3-溴甲基噻吩 --> 3-氨甲基噻吩 --> 甘宝素 --> 3-噻吩甲酰氯 --> 5-硝基噻吩-3-羧酸
  • Alfa Aesar:噻吩-3-甲酸,99% Thiophene-3-carboxylic acid, 99%(88-13-1)
  • Acros Organics:噻吩-3-甲酸 3-Thiophenecarboxylic acid, 99%(88-13-1)
  • Sigma Aldrich:88-13-1(sigmaaldrich)
  • 检测方法:HPLC
  • MSDS 信息:3-Thenoic acid(88-13-1).msds
  • 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. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Thiophene Acids
  1. Materials Science 材料科学
  2. Reagents for Conducting Polymer Research