2-Chloro-2,5-dimethylhexane - ≥98%(GC) , CAS No.29342-44-7

CAS: 29342-44-7 Cat. No.: C153664 Formula: C₈H₁₇Cl Molecular Weight: 148.67 Beilstein Registry Number: 1(4)434 EC Number: 679-661-8

GRADE & PURITY ≥98%(GC)

Synonyms

Hexane, 2-chloro-2,5-dimethyl- | SVRDRJZPEYTXKX-UHFFFAOYSA-N | D89422 | DTXSID60183580 | FT-0691604 | SCHEMBL2789369 | MFCD00060775 | 2-Chloro-2,5-dimethyl hexane | AKOS025295068 | 2-Chloro-2,5-dimethylhexane | 2-chloro-2,5-dimethyl-hexane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Hexane, 2-chloro-2,5-dimethyl- | SVRDRJZPEYTXKX-UHFFFAOYSA-N | D89422 | DTXSID60183580 | FT-0691604 | SCHEMBL2789369 | MFCD00060775 | 2-Chloro-2,5-dimethyl hexane | AKOS025295068 | 2-Chloro-2,5-dimethylhexane | 2-chloro-2,5-dimethyl-hexane

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: CC(C)CCC(C)(C)Cl
• IUPAC Name: 2-chloro-2,5-dimethylhexane
• InChIKey: SVRDRJZPEYTXKX-UHFFFAOYSA-N
• INCHI: 1S/C8H17Cl/c1-7(2)5-6-8(3,4)9/h7H,5-6H2,1-4H3
• Isomeric SMILES: CC(C)CCC(C)(C)Cl
• Molecular Weight: 148.67
• Beilstein: 1(4)434
• Reaxy-Rn: 1732889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732889&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Flash Point(°F): 52°C(lit.)
• Flash Point(°C): 52°C(lit.)
• Boil Point(°C): 98°C/150mmHg(lit.)
• Molecular Weight: 148.670 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 148.102 Da
• Monoisotopic Mass: 148.102 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.600
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 29342-44-7, the molecular formula is C8H17Cl, and the molecular weight is 148.67 g/mol. InChIKey SVRDRJZPEYTXKX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.