1-Bromo-2-methylpropan-2-ol - ≥97% , CAS No.38254-49-8

CAS: 38254-49-8 Cat. No.: B355149 Formule: C₄H₉BrO Poids moléculaire: 153.02 Numéro CE: 815-409-7

GRADE & PURITY ≥97%

Synonyms

1-Bromo-2-methyl-2-propanol | 1-bromo-2-methyl-propan-2-ol | 1-bromo-2-methylpropan-2-ol | EN300-113587 | SCHEMBL949685 | 2-Propanol, 1-bromo-2-methyl- | Bromo-tert-butyl Alcohol | FT-0755943 | BS-12677 | 1-Brom-2-methyl-2-propanol | DTXSID801022980 | MFC

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Vue d’ensemble

Product Application:

Bromo-tert-butyl Alcohol, is an organic building block that can be used in the variety of chemical synthesis. It is used in the synthesis of Monohalogeno-t-butyloxycarbonylamino Acids.

Specifications

Synonymes

1-Bromo-2-methyl-2-propanol | 1-bromo-2-methyl-propan-2-ol | 1-bromo-2-methylpropan-2-ol | EN300-113587 | SCHEMBL949685 | 2-Propanol, 1-bromo-2-methyl- | Bromo-tert-butyl Alcohol | FT-0755943 | BS-12677 | 1-Brom-2-methyl-2-propanol | DTXSID801022980 | MFC

Spécifications et pureté

≥97%

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

≥97%

Noms et identifiants

Pubchem Sid

488190240

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190240

Sourires canoniques

CC(C)(CBr)O

IUPAC Name

1-bromo-2-methylpropan-2-ol

InChIKey

OBOTXOMQYNJWJJ-UHFFFAOYSA-N

INCHI

1S/C4H9BrO/c1-4(2,6)3-5/h6H,3H2,1-2H3

Isomères SMILES

CC(C)(CBr)O

Poids moléculaire

153.02

Reaxy-Rn

1731281

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731281&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Bromohydrins Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Halohydrin - Bromohydrin - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

• Solubilité: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensibilité: light sensitive
• Poids moléculaire: 153.020 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 151.984 Da
• Monoisotopic Mass: 151.984 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 42.800
• 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