1-Bromo-2,2-dimethylpropane - ≥98% , CAS No.630-17-1

CAS: 630-17-1 Cat. No.: B472553 Summenformel: C₅H₁₁Br Molekulargewicht: 151.05 EG-Nummer: 211-132-5

GRADE & PURITY ≥98%

Synonyms

1-Bromo-2,2-dimethylpropane, 98% | AKOS005207080 | CCRIS 4895 | (CH3)3CCH2Br | D78161 | F0001-1708 | Neopentylbromde | 1-Bromo-2,2-dimethylpropane | 1-bromo-2,2-dimethyl-propane | A834154 | NEOPENTYL BROMIDE | neo-pentyl bromide | FT-0655347 | AB91626 | B

Storage

Room temperature

Übersicht

Application：

Neopentyl bromide is used in synthesis of S-alkylated cysteine derivatives with branched alkyl chains. It can be used in agrochemical, pharmaceutical and dyestuff field .

Specifications

Synonyme

1-Bromo-2,2-dimethylpropane, 98% | AKOS005207080 | CCRIS 4895 | (CH3)3CCH2Br | D78161 | F0001-1708 | Neopentylbromde | 1-Bromo-2,2-dimethylpropane | 1-bromo-2,2-dimethyl-propane | A834154 | NEOPENTYL BROMIDE | neo-pentyl bromide | FT-0655347 | AB91626 | B

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488181666
• Kanonisches Lächeln: CC(C)(C)CBr
• IUPAC Name: 1-bromo-2,2-dimethylpropane
• InChIKey: CQWYAXCOVZKLHY-UHFFFAOYSA-N
• INCHI: 1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
• Isomere SMILES: CC(C)(C)CBr
• Molekulargewicht: 151.05
• Reaxy-Rn: 1730989
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730989&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol, ether, aetone and benzene
• Brechungsindex: 1.436
• Flammpunkt (°C): 7℃
• Siedepunkt (°C): 105-106 °C/767 mmHg
• Molekulargewicht: 151.040 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 150.004 Da
• Monoisotopic Mass: 150.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 33.700
• 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