Benzyl bromide-α,α-d₂ - ≥98 atom% D,≥96% , CAS No.51271-29-5

CAS: 51271-29-5 Cat. No.: B472021 Formule: C₆H₅CD₂Br Poids moléculaire: 173.05 Numéro CE: 664-061-0

GRADE & PURITY ≥98 atom% D,≥96%

Synonyms

SCHEMBL541828 | [Bromo(~2~H_2_)methyl]benzene | Benzyl bromide-,-d2 | benzyl-alpha,alpha-d2 bromide | [bromo(?H?)methyl]benzene | Benzyl bromide-alpha,alpha-d2 | D99472 | Benzyl bromide- alpha , alpha -d2 | [bromo(dideuterio)methyl]benzene | Benzyl bromid

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonymes

SCHEMBL541828 | [Bromo(~2~H_2_)methyl]benzene | Benzyl bromide-,-d2 | benzyl-alpha,alpha-d2 bromide | [bromo(?H?)methyl]benzene | Benzyl bromide-alpha,alpha-d2 | D99472 | Benzyl bromide- alpha , alpha -d2 | [bromo(dideuterio)methyl]benzene | Benzyl bromid

Spécifications et pureté

≥98 atom% D,≥96%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98 atom% D,≥96%

Noms et identifiants

Pubchem Sid

504766988

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766988

Sourires canoniques

C1=CC=C(C=C1)CBr

IUPAC Name

[bromo(dideuterio)methyl]benzene

InChIKey

AGEZXYOZHKGVCM-NCYHJHSESA-N

INCHI

1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i6D2

Isomères SMILES

[2H]C([2H])(C1=CC=CC=C1)Br

Numéro ONU

1737

Poids moléculaire

173.05

Reaxy-Rn

385801

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive；Moisture sensitive
• Indice de réfraction: n20/D 1.575 (lit.)
• Point d'éclair (°F): 186.8 °F - closed cup
• Point d'éclair (°C): 86 °C - closed cup
• Point d'ébullition (°C): 198-199℃ (lit.)
• Point de fusion (°C): −3-−1℃ (lit.)
• Poids moléculaire: 173.050 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 171.986 Da
• Monoisotopic Mass: 171.986 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• Isotope Atom Count: 2
• 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