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1-Bromobutane--d7, also known as 1-Bromobutane-2,2,3,3,4,4,4-d7, is an isotopically labeled research compound with the CAS number 223487-53-4. It is a deuterated version of 1-Bromobutane, where seven hydrogen atoms are replaced by deuterium atoms. 1-Bromobutane--d7 is commonly used in scientific research and analysis due to its unique properties and stable isotope labeling.

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  • 223487-53-4 Structure
  • Basic information

    1. Product Name: 1-BroMobutane--d7
    2. Synonyms: 1-BroMobutane--d7
    3. CAS NO:223487-53-4
    4. Molecular Formula: C4H2BrD7
    5. Molecular Weight: 144.061392446
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 223487-53-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-BroMobutane--d7(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-BroMobutane--d7(223487-53-4)
    11. EPA Substance Registry System: 1-BroMobutane--d7(223487-53-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 223487-53-4(Hazardous Substances Data)

223487-53-4 Usage

Uses

Used in Scientific Research:
1-Bromobutane--d7 is used as a research compound for various scientific applications, including the study of chemical reactions, synthesis processes, and the development of new compounds. Its deuterated nature allows for enhanced detection and analysis in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, providing valuable insights into reaction mechanisms and structural information.
Used in Chemical Synthesis:
In the field of chemical synthesis, 1-Bromobutane--d7 serves as a valuable intermediate or starting material for the preparation of other deuterated organic compounds. Its unique isotopic labeling can help in tracing the incorporation of deuterium atoms into target molecules, which is particularly useful in the synthesis of isotopically labeled pharmaceuticals and bioactive compounds.
Used in Analytical Chemistry:
1-Bromobutane--d7 is employed as an internal standard or reference compound in analytical chemistry. Its stable isotopic composition and predictable behavior make it an ideal candidate for calibrating instruments and ensuring the accuracy of measurements in various analytical techniques, such as gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS).
Used in Pharmaceutical Development:
In the pharmaceutical industry, 1-Bromobutane--d7 can be utilized for the development of isotopically labeled drug candidates. The incorporation of deuterium atoms into drug molecules can potentially improve their pharmacokinetic and pharmacodynamic properties, such as increasing metabolic stability, reducing side effects, and enhancing drug efficacy.
Used in Environmental Studies:
1-Bromobutane--d7 can also be applied in environmental studies to investigate the fate and transport of organic compounds in various ecosystems. Its deuterated nature allows for the differentiation between naturally occurring and anthropogenic sources of pollutants, providing valuable information for environmental monitoring and remediation efforts.

Check Digit Verification of cas no

The CAS Registry Mumber 223487-53-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,3,4,8 and 7 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 223487-53:
(8*2)+(7*2)+(6*3)+(5*4)+(4*8)+(3*7)+(2*5)+(1*3)=134
134 % 10 = 4
So 223487-53-4 is a valid CAS Registry Number.

223487-53-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromo-[2,2,3,3,4,4,4-(2)H7]butane

1.2 Other means of identification

Product number -
Other names 4-bromo-1,1,1,2,2,3,3-heptadeuterio-butane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:223487-53-4 SDS

223487-53-4Downstream Products

223487-53-4Relevant articles and documents

Biosynthesis of epilachnene, a macrocyclic defensive alkaloid of the Mexican bean beetle

Attygalle, Athula B.,Svatos, Ales,Veith, Martin,Farmer, Jay J.,Meinwald, Jerrold,Smedley, Scott,Gonzalez, Andres,Eisner, Thomas

, p. 955 - 966 (2007/10/03)

The carbon skeleton of the azamacrolide epilachnene, the principal defensive alkaloid of Epilachna varivestis pupae, can be derived from oleic acid and serine. Analytical evidence from three experiments in which insects were fed (2H35)octadecanoic acid, (Z)-9- [11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-2H17]octadecenoic acid and (Z)-9-[11,11,12,12,13,13,14,14,16,16,17,17,18,18,18-2H15]octadecenoic acid, indicates that only the C-15 methylene group of oleic acid is involved in the mechanism leading to carbon-nitrogen bond formation in epilachnene. Support for this scheme is provided by the observation of an unusual ion at m/z 170 in the electron-ionization mass spectrum of epilachnene, rationalized as CH2=CH-COO-CH2-CH2-NH+=CH-CH2-CH2-CH3.

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