acetato di 2-bromoetile - ≥97% , CAS No.927-68-4

CAS: 927-68-4 Cat. No.: B102635 Formula: CH₃COOCH₂CH₂Br Peso molecolare: 167 Beilstein Registry Number: 1743110 Numero EC: 213-159-8

GRADE & PURITY ≥97%

Synonyms

(2-bromoethyl)acetate | AKOS015836240 | NSC7079 | NSC-7079 | Q-200245 | NRZ256O7QB | 2-acetoxyethyl bromide | BROMOETHYL ACETATE, 2- | AcO-CH2-CH2-Br | BRN 1743110 | 2-acetoxy-1-bromoethane | 1-Bromo-2-acetoxyethane | Acetic acid 2-bromo-ethyl ester | FT-

Storage

Argon charged,Room temperature

Shipped In

Normale

Specifications

Sinonimi

(2-bromoethyl)acetate | AKOS015836240 | NSC7079 | NSC-7079 | Q-200245 | NRZ256O7QB | 2-acetoxyethyl bromide | BROMOETHYL ACETATE, 2- | AcO-CH2-CH2-Br | BRN 1743110 | 2-acetoxy-1-bromoethane | 1-Bromo-2-acetoxyethane | Acetic acid 2-bromo-ethyl ester | FT-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488181865
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181865
• Sorrisi canonici: CC(=O)OCCBr
• IUPAC Name: 2-bromoethyl acetate
• InChIKey: RGHQKFQZGLKBCF-UHFFFAOYSA-N
• INCHI: 1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3
• Isomeri SMILES: CC(=O)OCCBr
• WGK Germania: 3
• RTECS: KJ8227000
• Peso molecolare: 167
• Beilstein: 1743110
• Reaxy-Rn: 1743110
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743110&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.455
• Punto di infiammabilità (°F): 159.8 °F
• Punto di infiammabilità (°C): 71°C
• Punto di ebollizione (°C): 159°C
• Punto di fusione (°C): -14--13.8°C
• Peso molecolare: 167.000 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.963 Da
• Monoisotopic Mass: 165.963 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• 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

Riferimenti

1. Min Tao, Li Zhang, Yinlong Guo.  (2018)  Dual-Channel Enzymatic Inhibition Measurement (DEIM) Coupling Isotope Substrate via Matrix-Assisted Laser Desorption/Ionization Time of Flight Mass Spectrometry.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:30159674] [10.1007/s13361-018-2054-3]