1-Chloro-2,2-dimethylpropane - ≥96%(GC) , CAS No.753-89-9

CAS: 753-89-9 Cat. No.: C153544 Fórmula: C₅H₁₁Cl Peso molecular: 106.59 Beilstein Registry Number: 1(4)336 Número CE: 212-040-8

GRADE & PURITY ≥96%(GC)

Synonyms

Neopentyl chloride | MFCD00000941 | F8882-4704 | SY048171 | SCHEMBL172298 | DTXSID7061069 | AMY1168 | D89303 | AKOS009158972 | EN300-673983 | EINECS 212-040-8 | t-C4H9CH2Cl | Propane, 1-chloro-2,2-dimethyl- | 1-Chloro-2,2-dimethylpropane | 1-chloro-2,2-di

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Neopentyl chloride | MFCD00000941 | F8882-4704 | SY048171 | SCHEMBL172298 | DTXSID7061069 | AMY1168 | D89303 | AKOS009158972 | EN300-673983 | EINECS 212-040-8 | t-C4H9CH2Cl | Propane, 1-chloro-2,2-dimethyl- | 1-Chloro-2,2-dimethylpropane | 1-chloro-2,2-di

Especificações e pureza

≥96%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%(GC)

Nomes e identificadores

Pubchem Sid

528754465

Sorrisos canónicos

CC(C)(C)CCl

IUPAC Name

1-chloro-2,2-dimethylpropane

InChIKey

JEKYMVBQWWZVHO-UHFFFAOYSA-N

INCHI

1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3

SMILES isoméricas

CC(C)(C)CCl

WGK Alemanha

2

Peso molecular

106.59

Beilstein

1(4)336

Reaxy-Rn

1730985

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730985&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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

Propriedades químicas e físicas

• Índice de refração: 1.4
• Ponto de inflamação (°F): 15.8 °F
• Ponto de inflamação (°C): -9 °C
• Ponto de ebulição (°C): 85 °C
• Ponto de fusão (°C): −20 °C(lit.)
• Peso molecular: 106.590 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 106.055 Da
• Monoisotopic Mass: 106.055 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