Methyl 3-hydroxythiophene-2-carboxylate 3-羟基-2-噻吩甲酸甲酯

CAS 5118-06-9 MFCD00055642

化学结构图

5118-06-9
SMILES: COC(=O)c1sccc1O

化学属性

Mol. FormulaC6H6O3S
Mol. Weight158.18
Melting Point38-43°C
TSCANo
Boiling Point232.304°C at 760 mmHg
Flash Point94.295°C

别名和识别编码

Chemical NameMethyl 3-hydroxythiophene-2-carboxylate
CAS Number5118-06-9
Alfabeta NameMETHYLHYDROXYTHIOPHENECARBOXYLATE 32---
MDL NumberMFCD00055642
PubChem Substance ID354333948
Synonym Methyl 3-hydroxythiophene-2-carboxylate {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {} {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-hydroxythiophene-2-carboxyl
Chemical Name Translation3-羟基-2-噻吩甲酸甲酯
Reaxys-RN121431
LabNetwork Molecule IDLN00149892
InChIInChI=1S/C6H6O3S/c1-9-6(8)5-4(7)2-3-10-5/h2-3,7H,1H3
Canonical SMILESO=C(C1=C(O)C=CS1)OC
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分类

  • {SNA} Building Blocks, C4 to C6, Chemical Synthesis, Heterocyclic Building Blocks, Thiophenes
  • {KO} Alcohols
  • {KO} Esters

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xi
Safety Statements
  • 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;
  • 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
Signal word Warning
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P302+P352
  • P305+P351+P338
Storage condition 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, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
2
H-bond Donors
1
LogP
7.839999999999999e-001

其他信息

  • 3-羟基-2-噻吩甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 SB01952EA 3-羟基-2-噻吩甲酸甲酯 methyl 3-hydroxythiophene-2-carboxylate 10 GR 2490元 2010/06/21 SB01952FA 3-羟基-2-噻吩甲酸甲酯 methyl 3-hydroxythiophene-2-carboxylate 100 GR 12750元 2010/06/21 SB01952EE 3-羟基-2-噻吩甲酸甲酯 methyl 3-hydroxythiophene-2-carboxylate 50 GR 8025元
  • 上游原料:盐酸 --> 乙酸乙酯 --> 甲醇 --> 二氯甲烷 --> 钠 --> 硫酸镁 --> 正己烷 --> 镁 --> 巯基乙酸甲酯 --> 丙炔酸乙酯 --> 甲基氯代丙酸酯
  • 图谱信息:3-羟基-2-噻吩甲酸甲酯(5118-06-9)核磁图( 1 HNMR)
  • Alfa Aesar:3-羟基噻吩-2-羧酸甲酯,97% Methyl 3-hydroxythiophene-2-carboxylate, 97%(5118-06-9)
  • Hazard Note:Irritant
  • 下游产品:替诺昔康
  • MOL 文件:5118-06-9.mol
  • Sigma Aldrich:5118-06-9(sigmaaldrich)
  • Acros Organics:Methyl 3-hydroxythiophene-2-carboxylate, 97%(5118-06-9)

系列性分类


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