Cloroacetato de metilo - AR, ≥99% , CAS No.96-34-4

CAS: 96-34-4 Cat. No.: M104120 Peso molecular: 108.52 Beilstein Registry Number: 506255 Número EC: 202-501-1

GRADE & PURITY AR, ≥99%

Synonyms

Q188382 | 2-cloroacetato de metilo | 2-cloroacetato de metilo | Monocloroacetato de metilo | NSC 2635 | éster metílico del ácido 2-cloroacético | éster metílico del ácido 2-cloroacético | éster metílico del ácido 2-cloroacético;monocloroacetato de metilo;

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

Q188382 | 2-cloroacetato de metilo | 2-cloroacetato de metilo | Monocloroacetato de metilo | NSC 2635 | éster metílico del ácido 2-cloroacético | éster metílico del ácido 2-cloroacético | éster metílico del ácido 2-cloroacético;monocloroacetato de metilo;

Especificaciones y pureza

AR, ≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

AR

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180375
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180375
• Sonrisas canónicas: COC(=O)CCl
• IUPAC Name: methyl 2-chloroacetate
• InChIKey: QABLOFMHHSOFRJ-UHFFFAOYSA-N
• INCHI: 1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
• Isómeros SMILES: COC(=O)CCl
• WGK Alemania: 2
• RTECS: AF9500000
• Número ONU: 2295
• Grupo de embalaje: I
• Peso molecular: 108.52
• Beilstein: 506255
• Reaxy-Rn: 506255
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506255&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.419～1.420
• Punto de inflamación (°F): 116.6 °F
• Punto de inflamación (°C): 50℃
• Punto de ebullición (°C): 130～132°C
• Punto de fusión (°C): -33°C
• Peso molecular: 108.520 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 107.998 Da
• Monoisotopic Mass: 107.998 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 52.800
• 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

Referencias

1. Wang Jun, Zhu Tianlong, Deng Ziwen, Liu Haicheng, Huang Chunxiang, Li Na, Sun Xueni, Shao Hui, Qi Lv.  (2022)  Isobaric vapour-liquid equilibrium for systems of methyl chloroacetate, methyl dichloroacetate and methyl 2-chloropropionate at 101.33 kPa.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2022.118934]

2. Hu Keling, Sui Huachao, Zhao Dongping.  (2021)  Synergistic interaction of renewable nipagin and eugenol for aromatic copoly(ether ester) materials with desired performance.  Scientific Reports,  11  (1): (1-11).  [PMID:34916589] [10.1038/s41598-021-03614-z]

3. Huan Ding, Shouping Xu, Jiangjiang Wang, Zhouxiang Fan, Zhongquan Huang, Hui Wu, Pihui Pi, Jiang Cheng, Xiufang Wen.  (2021)  A conductive, antibacterial, and antifouling hydrogel based on zwitterion.  JOURNAL OF APPLIED POLYMER SCIENCE,  139  (7): (51648).  [PMID:] [10.1002/app.51648]

4. Jun-Li Yang, Yun-Han Yang, Yu-Peng Xun, Ke-Ke Wei, Jie Gu, Mei Chen, Li-Juan Yang.  (2019)  Novel Amino-pillar[5]arene as a Fluorescent Probe for Highly Selective Detection of Au3+ Ions.  ACS Omega,      [PMID:31681900] [10.1021/acsomega.9b02951]

5. Baolong Huo, Man Du, Ao Shen, Mengwen Li, Yaru Lai, Xue Bai, Aijun Gong, Leqiu Fang, Yunxu Yang.  (2018)  A “light-up” fluorescent probe based on TEMPO-oxidation for the detection of ClO- and application in real samples.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2018.12.115]

6. ChenDi Ding, JianHua Xu, Ling Tong, GuangCai Gong, Wei Jiang, Jiajun Fu.  (2017)  Design and Fabrication of a Novel Stimulus-Feedback Anticorrosion Coating Featured by Rapid Self-Healing Functionality for the Protection of Magnesium Alloy.  ACS Applied Materials & Interfaces,      [PMID:28545298] [10.1021/acsami.7b06347]

7. ChenDi Ding, Ying Liu, MingDong Wang, Ting Wang, JiaJun Fu.  (2016)  Self-healing, superhydrophobic coating based on mechanized silica nanoparticles for reliable protection of magnesium alloys.  Journal of Materials Chemistry A,  4  (21): (8041-8052).  [PMID:] [10.1039/C6TA02575G]

8. Tao Chang, Xiaorui Gao, Li Bian, Xiying Fu, Mingxia Yuan, Huanwang Jing.  (2015)  Coupling of epoxides and carbon dioxide catalyzed by Brönsted acid ionic liquids.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(14)60227-8]

9. Jiaxuan Feng, Hongjun Zang, Qing Yan, Mingguang Li, Xinqiang Jiang, Bowen Cheng.  (2015)  Dissolution and utilization of chitosan in a 1-carboxymethyl-3-methylimidazolium hydrochloride ionic salt aqueous solution.  JOURNAL OF APPLIED POLYMER SCIENCE,  132  (22):   [PMID:] [10.1002/app.41965]

10. Yubing Xiong, Yujiao Wang, Hong Wang, Rongmin Wang, Zipeng Cui.  (2011)  Novel one-step synthesis to cross-linked polymeric nanoparticles as highly active and selective catalysts for cycloaddition of CO2 to epoxides.  JOURNAL OF APPLIED POLYMER SCIENCE,  123  (3): (1486-1493).  [PMID:] [10.1002/app.34622]

11. Jiawei Liu, Qiang Tian, Lei Ye, Luqing Zhang, Zhaoran Wang, Jin Li, Yabin Zhang.  (2024)  A fast gelatinized asymmetric adhesive hydrogel for enhanced wearable sensor performance.  Journal of Materials Chemistry A,  12  (37): (25304-25321).  [PMID:] [10.1039/D4TA03628J]

12. Liwei Sun, Lipeng Wang, Meilin Yin, Shaokun Tang.  (2024)  Porous bi-functional ionic liquid-grafted metal–organic framework for diluted CO2 cycloaddition reaction.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.128222]

13. Yinghui Yuan, Guangli Dong, Yinglin Liu, Lili Tian, Bingyu He, Enliang Zhou, Hong Hao.  (2024)  Robust underwater superoleophobic coatings based on zwitterionic P(CBMAE-co-TMSPMA)/SiO2 with anti-adhesive behavior.  POLYMER ENGINEERING AND SCIENCE,      [PMID:] [10.1002/pen.26642]

14. Mengjia Hu, Jingjing Xiao, Hongqing Wang, Chen Yao, Yaxin Wu, Zhihong Xiao, Changzhu Li.  (2024)  Uranium extraction by a bifunctional extractant dialkyl (2-(hydroxyamino)-2-oxoethyl) phosphonate.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.115137]

15. Yichuan Wang, Leilei Zhao, Bao Liu, Longhui Deng, Zhenqiang Wu.  (2025)  Nanofiber Networks from Self-Assembling Cardanol Amphiphiles: Toward Renewable Multifunctional Surfactants.  MOLECULES,  30  (20): (4119).  [PMID:41157136] [10.3390/molecules30204119]