5-Chlorothiophene-2-carboxylic Acid 2-氯噻吩-5-甲酸

CAS 24065-33-6 MFCD00041426

化学结构图

24065-33-6
SMILES: O=C(O)c1ccc(Cl)s1

化学属性

Mol. FormulaC5H3ClO2S
Mol. Weight163
Melting Point154-158
TSCANo
Density1.572

别名和识别编码

Chemical Name5-Chlorothiophene-2-carboxylic Acid
CAS Number24065-33-6
Alfabeta NameCHLOROTHIOPHENECARBOXYLICACID 52---
MDL NumberMFCD00041426
Synonym 5-Chloro-2-thiophenecarboxylic acid 5-氯噻吩-2-羧酸
PubChem Substance ID95048
Reaxys-RN118361
EC Number000-000-0
Beilstein Registry Number118361
Chemical Name Translation2-氯噻吩-5-甲酸
InChIKeyQZLSBOVWPHXCLT-UHFFFAOYSA-N
Wiswesser Line NotationT5SJ BVQ EG
LabNetwork Molecule IDLN00115613
InChIInChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
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分类

  • Building Blocks, C4 to C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Thiophenes
  • {SNA} Building Blocks, C4 to C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Thiophenes

产品应用

  • A metabolite of Rivaroxaban (R538000).

相关文献及参考

  • Brickner, S., et al.: J. Med. Chem., 39, 673

安全信息

Warnings IRRITANT
WGK Germany3
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P333+P313
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xi
RTECSXM8400000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03275

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. Halogenated Heterocycles 卤代杂环
  5. Thiophenes - Halogenated Heterocycles
  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. Halogenated Heterocycles 卤代杂环
  5. Thiophenes - Halogenated Heterocycles
  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. Halogenated Heterocycles 卤代杂环
  5. Thiazolines/Thiazolidines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  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. Application Areas 应用领域分类
  2. Drug Discovery 新药研发
  3. 利伐沙班中间体

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