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

CAS: 753-89-9 Cat. No.: C153544 Summenformel: C₅H₁₁Cl Molekulargewicht: 106.59 Beilstein Registry Number: 1(4)336 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥96%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%(GC)

Namen und Kennungen

• Pubchem Sid: 528754465
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C)(C)CCl
• WGK Deutschland: 2
• Molekulargewicht: 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
    • Klasse Organochlorides

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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.4
• Flammpunkt (°F): 15.8 °F
• Flammpunkt (°C): -9 °C
• Siedepunkt (°C): 85 °C
• Schmelzpunkt (°C): −20 °C(lit.)
• Molekulargewicht: 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