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

CAS: 39091-63-9 Cat. No.: B472006 Formule: (CD₃)₂CDBr Poids moléculaire: 130.03 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98 atom% D,≥98%

Conditions de stockage de stockage

Protected from light,Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98 atom% D,≥98%

Noms et identifiants

• Pubchem Sid: 504767916
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767916
• Sourires canoniques: 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
• Isomères SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])Br
• WGK Allemagne: 1
• CAS alternatif: 75-26-3
• Poids moléculaire: 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
    • Classe Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic ；light sensitive
• Indice de réfraction: n20/D 1.421 (lit.)
• Point d'éclair (°F): 66.2 °F
• Point d'éclair (°C): 19 °C
• Point d'ébullition (°C): 59 °C (lit.)
• Point de fusion (°C): -89 °C (lit.)
• Poids moléculaire: 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