1,9-Dichlorononane - ≥98% , CAS No.821-99-8

CAS: 821-99-8 Cat. No.: D404188 Formula: C₉H₁₈Cl₂ Molecular Weight: 197.14 EC Number: 212-484-2

GRADE & PURITY ≥98%

Synonyms

JMGRNJZUQCEJDB-UHFFFAOYSA-N | MFCD00001024 | Nonane, 1,9-dichloro- | NSC9477 | NSC-9477 | 4DXR427FMJ | Nonane,9-dichloro- | DTXSID30870778 | 1,9-DICHLORONONANE | 1,9-dichloro-nonane | SY033661 | D5116 | DS-1949 | C9H18Cl2 | AKOS015850594 | EINECS 212-484-

Storage

Room temperature

Specifications

Synonyms

JMGRNJZUQCEJDB-UHFFFAOYSA-N | MFCD00001024 | Nonane, 1,9-dichloro- | NSC9477 | NSC-9477 | 4DXR427FMJ | Nonane,9-dichloro- | DTXSID30870778 | 1,9-DICHLORONONANE | 1,9-dichloro-nonane | SY033661 | D5116 | DS-1949 | C9H18Cl2 | AKOS015850594 | EINECS 212-484-

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181808
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181808
• Canonical Smiles: C(CCCCCl)CCCCCl
• IUPAC Name: 1,9-dichlorononane
• InChIKey: JMGRNJZUQCEJDB-UHFFFAOYSA-N
• INCHI: 1S/C9H18Cl2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2
• Isomeric SMILES: C(CCCCCl)CCCCCl
• UN Number: 3082
• Packing Group: III
• Molecular Weight: 197.14
• Reaxy-Rn: 1698729
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698729&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

• x_refractive_index: 1.46
• x_boil_point_char: 150 °C/5 mmHg
• Molecular Weight: 197.140 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 196.079 Da
• Monoisotopic Mass: 196.079 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 56.600
• 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?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 821-99-8, the molecular formula is C9H18Cl2, and the molecular weight is 197.14 g/mol. InChIKey JMGRNJZUQCEJDB-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.