Acetyl bromide - ≥97% , CAS No.506-96-7

CAS: 506-96-7 Cat. No.: A109619 Fórmula: C₂H₃BrO Peso molecular: 122.95 Beilstein Registry Number: 1697546 Número CE: 208-061-7

GRADE & PURITY ≥97%

Synonyms

C2H3BrO | HSDB 663 | FT-0621822 | Ethanoyl bromide | InChI=1/C2H3BrO/c1-2(3)4/h1H | AMY21856 | F0001-1319 | EINECS 208-061-7 | A0080 | EC 208-061-7 | DTXSID5060140 | Acetic acid, bromide | MFCD00000114 | AcBr | A828254 | 4-02-00-00398 (Beilstein Handbook

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Visão geral

Product Introduction

Acetyl bromide effectively mediates Nazarov cyclization of a cross-conjugated pentadienone to give (±)-methyl rocaglate. It is added to dissolve Arabidopsis lignin during acetyl bromide method for rapid microscale determination of lignin content in Arabidopsis.

Product Usage

Acetyl bromide can be used:

• In the quantification of lignin in cell wall residues of Arabidopsis.

• In the total synthesis of cinchona alkaloids named quinidine and quinine.

• To prepare 9,10-diarylanthracenes and triarylmethanes by reacting with arenes and various aromatic aldehydes using ZnBr2/SiO2.

• To prepare glycosyl bromides from free sugars or their peracetates.

Specifications

Sinónimos

C2H3BrO | HSDB 663 | FT-0621822 | Ethanoyl bromide | InChI=1/C2H3BrO/c1-2(3)4/h1H | AMY21856 | F0001-1319 | EINECS 208-061-7 | A0080 | EC 208-061-7 | DTXSID5060140 | Acetic acid, bromide | MFCD00000114 | AcBr | A828254 | 4-02-00-00398 (Beilstein Handbook

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

FedEx DG Service

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504751961
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751961
• Sorrisos canónicos: CC(=O)Br
• IUPAC Name: acetyl bromide
• InChIKey: FXXACINHVKSMDR-UHFFFAOYSA-N
• INCHI: 1S/C2H3BrO/c1-2(3)4/h1H3
• SMILES isoméricas: CC(=O)Br
• WGK Alemanha: 3
• RTECS: AO5955000
• Número UN: 1716
• Grupo de embalagem: II
• Peso molecular: 122.95
• Beilstein: 1697546
• Reaxy-Rn: 1697546
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697546&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Acyl halides
      • Subclass Acyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Acyl halides
• Subclass: Acyl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl bromides
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as acyl bromides. These are organic compounds containing the functional group -CO-Br.
• 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

Propriedades químicas e físicas

• Solubilidade: Miscible with ether, chloroform, benzene and acetone.
• Sensibilidade: Light & Moisture Sensitive
• Índice de refração: 1.4485-1.4505
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 110 °C
• Ponto de ebulição (°C): 75-77°C
• Ponto de fusão (°C): -96°C
• Peso molecular: 122.950 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 121.937 Da
• Monoisotopic Mass: 121.937 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 33.000
• 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

Referências

1. Xuehui Cao, Ge Bai, Jianrong Zheng, Danshi Zhu, Jianrong Li.  (2022)  Effects of freeze–thaw cycles on the texture of Nanguo pear.  JOURNAL OF TEXTURE STUDIES,  53  (5): (662-671).  [PMID:35661160] [10.1111/jtxs.12701]

2. Yin Yan, Lihe Zhang, Xi Zhao, Siyu Zhai, Qian Wang, Cui Li, Xu Zhang.  (2022)  Utilization of lignin upon successive fractionation and esterification in polylactic acid (PLA)/lignin biocomposite.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:35038472] [10.1016/j.ijbiomac.2022.01.041]

3. Aqiang Liu, Chenghao Bi, Xuanhui Qu, Jianjun Tian.  (2021)  Demystifying the Formation of Colloidal Perovskite Nanocrystals via Controlling Stepwise Synthesis.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c04140]

4. Chuan-Jian Li, Min-An Ye, Pei-Pei Su, Cheng Yao, Yi Zhou.  (2020)  Cyanine-modified near-infrared upconversion nanoprobe for ratiometric sensing of N2H4 in living cells.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:33188975] [10.1016/j.saa.2020.119153]

5. Tianhao Cao, Yizhong Zhang, Qian Gong, Qun Zou, Ruifeng Pan, Zhixia Wang.  (2024)  Apparent molar volume at infinite dilution, expansivities and electrochemical behaviours of binary system (tetramethylpiperidine 1-oxyl-based ionic liquids + water).  PHYSICS AND CHEMISTRY OF LIQUIDS,      [PMID:] [10.1080/00319104.2024.2412077]

6. Lin Kexin, Zhang Weiting, Fan Xinyang, Li Xiaoyan, Wang Nuomeng, Yu Shuyu, Lu Lei.  (2024)  Deep eutectic solvents assisted laccase pretreatment for improving enzymatic hydrolysis of corn stover.  BIOPROCESS AND BIOSYSTEMS ENGINEERING,      [PMID:39545962] [10.1007/s00449-024-03102-4]

7. Xiao-Yan Sun, Fan-Feng Hua, Tian-Wen Bai, Ying-Long Fu.  (2024)  Development of red fluorescent probe for visual detection of N2H4 via nanofiber membrane and its application in environmental analysis and biological imaging.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2024.136807]

8. Gong Xiujin, Wang Dengfeng, Zheng Qiannan, Liu Lin, Wu Han, Li Zihan, Hong Haojie, Yao Juming.  (2024)  Efficient extraction of highly reactive lignin from waste mulberry branches.  Biomass Conversion and Biorefinery,      [PMID:] [10.1007/s13399-024-05632-z]

9. Liyi Zhang, Guangyong Zeng, Jianquan Luo, Yinhua Wan, Benkun Qi.  (2025)  Exploring the varied effects of lignin modification during deep eutectic solvents pretreatment on enzymatic cellulose hydrolysis.  BIOMASS & BIOENERGY,      [PMID:] [10.1016/j.biombioe.2025.107707]

10. Hui-Jun Liu, Da-Yu Sun, Lei Yang, Guang-Hui Ma, Rong-Ying Xia, Zi-Qi Wang, Ming-Zhu Yao, Li-Jing Gao, Rui-Ping Wei, Xiao-Mei Pan, Guo-Min Xiao.  (2025)  Pretreatment of enzymatic hydrolysis lignin based on deep eutectic solvent containing a reversibly-soluble base.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39884632] [10.1016/j.ijbiomac.2025.140452]

11. Qing Zhang, Enqing Zhu, Chi Zhang, Qingwen Tian, Lili Zhang, Jing Shen, Yonghao Ni, Zhiguo Wang.  (2025)  Deep Eutectic Solvents Recycling for Efficient and Sustainable Lignocellulosic Biomass Processing and the Impact of Recycling on Resultant Lignin and Cellulose Products.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c04396]

12. Qing Zhang, Jiao Meng, Qingwen Tian, Lili Zhang, Jing Shen, Yonghao Ni, Zhiguo Wang.  (2025)  Effect of hemicellulose and its-derived products on the recycling and efficiency of biomass fractionation using lactic acid/choline chloride (DES).  BIORESOURCE TECHNOLOGY,      [PMID:40245995] [10.1016/j.biortech.2025.132545]

13. Ziqi Zhu, Pei Yang, Wentao Huang, Xiaoyan Zhou.  (2025)  Photocatalytic Oxidation of Technical Lignin to Potent Modifiers for Improving the Performance of Urea-Formaldehyde Resin.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c01279]

14. Zheng Chenyu, Sun Dayu, Gan Jingyi, Wang Rui, Gao Lijing, Wei Ruiping, Xiao Guomin.  (2025)  Ce-Modified CuNiAl Hydrotalcite Catalysts for Catalytic Transfer Hydrogenolysis of Enzymatic Hydrolysis Lignin.  CATALYSIS LETTERS,  155  (11): (1-18).  [PMID:] [10.1007/s10562-025-05181-8]

15. Cui Li, Wei Zhang, Yamin Wu, Lin Chen, Changliu He, Jiayu Xin, Siyu Wang, Xu Zhang.  (2026)  Construction of Lignin-Derived N-Doped Carbon Nanotubes Embedded with Co Single Atoms and Nanoparticles for Electromagnetic Wave Absorption.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.6c01038]

16. Huang Yuetong, Zhang Xinyan, Liu Qiyu, Ma Qiaozhi, Qiu Xueqing.  (2026)  Selective Fractionation of Larch into Oligosaccharides and Less-Condensed Lignin in a Novel Molten Salt/n-Butanol System.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,  74  (30): (23451-23460).  [PMID:42504519] [10.1021/acs.jafc.6c08285]