2-Bromopropane-d₇ - ≥98 atom% D,≥98% , CAS No.39091-63-9

CAS: 39091-63-9 Cat. No.: B472006 Fórmula: (CD₃)₂CDBr Peso molecular: 130.03 Número EC: 686-145-6

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

d7-2-bromopropane | 2-bromo(?H?)propane | 2-bromo-1,1,1,2,3,3,3-heptadeuteriopropane | SCHEMBL508929 | D98008 | Isopropyl-d7 bromide | 2-Bromopropane-d7 | 2-Bromopropane-d7, 98 atom % D | S-(-)-3-Aminoquinuclidinedihydrochloride

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Application:

Labelled analogue of 2-Bromopropane, a short chain alkyl halide used in organic synthesis primarily as an alkylating agent for introducing the isopropyl functional groups.

Specifications

Sinónimos

d7-2-bromopropane | 2-bromo(?H?)propane | 2-bromo-1,1,1,2,3,3,3-heptadeuteriopropane | SCHEMBL508929 | D98008 | Isopropyl-d7 bromide | 2-Bromopropane-d7 | 2-Bromopropane-d7, 98 atom % D | S-(-)-3-Aminoquinuclidinedihydrochloride

Especificaciones y pureza

≥98 atom% D,≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98 atom% D,≥98%

Nombres e identificadores

• Pubchem Sid: 504767916
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767916
• Sonrisas canónicas: CC(C)Br
• IUPAC Name: 2-bromo-1,1,1,2,3,3,3-heptadeuteriopropane
• InChIKey: NAMYKGVDVNBCFQ-YYWVXINBSA-N
• INCHI: 1S/C3H7Br/c1-3(2)4/h3H,1-2H3/i1D3,2D3,3D
• Isómeros SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])Br
• WGK Alemania: 1
• CAS alternativo: 75-26-3
• Peso molecular: 130.03
• Reaxy-Rn: 741852
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741852&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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: Hygroscopic ；light sensitive
• Índice de refracción: n20/D 1.421 (lit.)
• Punto de inflamación (°F): 66.2 °F
• Punto de inflamación (°C): 19 °C
• Punto de ebullición (°C): 59 °C (lit.)
• Punto de fusión (°C): -89 °C (lit.)
• Peso molecular: 130.030 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 129.017 Da
• Monoisotopic Mass: 129.017 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.800
• Isotope Atom Count: 7
• 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