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

CAS: 38254-49-8 Cat. No.: B355149 Molecular Weight: 153.02 EC Number: 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

Overview

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

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488190240
• Canonical Smiles: 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
• Isomeric SMILES: CC(C)(CBr)O
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensitivity: light sensitive
• Molecular Weight: 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