5-Bromo-2-thiophenecarboxaldehyde - ≥97% , CAS No.4701-17-1

CAS: 4701-17-1 Cat. No.: B101864 Molecular Weight: 191.05 Beilstein Registry Number: 17(1)148 EC Number: 225-176-8

GRADE & PURITY ≥97%

Synonyms

5-bromo-thiophene-2-carbaldehyde | 5-Bromothiophene-2-carbaldehyde | 5-Bromo-2-formylthiophene | 5-Bromothiophene-2-carboxaldehyde

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

5-Bromo-2-thiophenecarboxaldehyde was used to prepare 5-[18F]fluoro-2-2-thiophene carboxaldehyde.

Specifications

Synonyms

5-bromo-thiophene-2-carbaldehyde | 5-Bromothiophene-2-carbaldehyde | 5-Bromo-2-formylthiophene | 5-Bromothiophene-2-carboxaldehyde

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755287
• Canonical Smiles: C1=C(SC(=C1)Br)C=O
• IUPAC Name: 5-bromothiophene-2-carbaldehyde
• InChIKey: GFBVUFQNHLUCPX-UHFFFAOYSA-N
• INCHI: 1S/C5H3BrOS/c6-5-2-1-4(3-7)8-5/h1-3H
• Isomeric SMILES: C1=C(SC(=C1)Br)C=O
• WGK Germany: 3
• Molecular Weight: 191.05
• Beilstein: 17(1)148
• Reaxy-Rn: 108404
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108404&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Aryl-aldehydes Aryl bromides Heteroaromatic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Aryl-aldehyde - Aryl halide - Aryl bromide - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat & Air sensitive.
• Freezing Point(°C): 15 °C
• Refractive Index: 1.637
• Flash Point(°F): 210.2 °F
• Flash Point(°C): 99 ℃
• Boil Point(°C): 105-107°C/11mmHg
• Melt Point(°C): 15 °C
• Molecular Weight: 191.050 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.909 Da
• Monoisotopic Mass: 189.909 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zhuye Shang, Li Shu, Jianhua Liu, Qingtao Meng, Yue Wang, Jianguo Sun, Run Zhang, Zhiqiang Zhang.  (2022)  Triphenylamine-embedded copper(II) complex as a “turn-on” fluorescent probe for the detection of nitric oxide in living animals.  Analytical Methods,  14  (44): (4537-4544).  [PMID:36314283] [10.1039/D2AY01629J]

2. Lingfeng Xu, Jingyi Zhao, Fangzhi Xiong, Yanrong Huang, Yan Sui.  (2022)  Activatable molecular rotor based on bithiophene quinolinium toward viscosity detection in liquids.  Analytical Methods,  14  (22): (2204-2211).  [PMID:35612408] [10.1039/D2AY00539E]

3. Hongsen Wang, Yu Wang, Zhaohui Zheng, Fang Yang, Xiaobin Ding, Aiguo Wu.  (2022)  Reasonable design of NIR AIEgens for fluorescence imaging and effective photothermal/photodynamic cancer therapy.  Journal of Materials Chemistry B,  10  (9): (1418-1426).  [PMID:35142757] [10.1039/D1TB02610K]

4. Junjun Wang, Yize Zhang, Zhi-Peng Yu, Houshi Huang, Lei Chen, Xiaojiao Zhu, Jie Zhang, Lianke Wang, Jianhua Yu, Hongping Zhou.  (2021)  Diversified photo-energy conversion based on single-molecule FRET to realize enhanced phototheranostics.  Materials Chemistry Frontiers,  5  (23): (8229-8237).  [PMID:] [10.1039/D1QM01105G]

5. Jiapei Gu, Xiangqian Li, Guofu Zhou, Wanqiang Liu, Jinwei Gao, Qianming Wang.  (2019)  A novel self-calibrating strategy for real time monitoring of formaldehyde both in solution and solid phase.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:31881494] [10.1016/j.jhazmat.2019.121883]