Dodecanedioyl Dichloride - ≥98%(GC) , CAS No.4834-98-4

CAS: 4834-98-4 Cat. No.: D154502 Molecular Weight: 267.19 Beilstein Registry Number: 2(4)2127 EC Number: 627-587-1

GRADE & PURITY ≥98%(GC)

Synonyms

dodecanedioyl chloride | Dodecanedioyl dichloride | D2544 | 1,12-dodecanedioyl dichloride | CNXXEPWXNDFGIG-UHFFFAOYSA-N | HY-W087964 | D90080 | AKOS005258281 | MFCD00012243 | FT-0635457 | Dodecandioyldichloride | Dodecanedioyl dichloride, 98% | DTXSID4036

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

dodecanedioyl chloride | Dodecanedioyl dichloride | D2544 | 1, 12-dodecanedioyl dichloride | CNXXEPWXNDFGIG-UHFFFAOYSA-N | HY-W087964 | D90080 | AKOS005258281 | MFCD00012243 | FT-0635457 | Dodecandioyldichloride | Dodecanedioyl dichloride, 98% | DTXSID4036

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504760974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760974
• Canonical Smiles: C(CCCCCC(=O)Cl)CCCCC(=O)Cl
• IUPAC Name: dodecanedioyl dichloride
• InChIKey: CNXXEPWXNDFGIG-UHFFFAOYSA-N
• INCHI: 1S/C12H20Cl2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16/h1-10H2
• Isomeric SMILES: C(CCCCCC(=O)Cl)CCCCC(=O)Cl
• Molecular Weight: 267.19
• Beilstein: 2(4)2127
• Reaxy-Rn: 1782823
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1782823&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

• Sensitivity: Moisture sensitive.
• Refractive Index: n20/D 1.468 (lit.)
• Boil Point(°C): 140 °C/0.5 mmHg (lit.)
• Molecular Weight: 267.190 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 266.084 Da
• Monoisotopic Mass: 266.084 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 183.000
• 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

References

1. Renyuan Chen, Caidie Xu, Yihao Lei, Hongxin Liu, Yabin Zhu, Jianfeng Zhang, Long Xu.  (2021)  Facile construction of a family of supramolecular gels with good levofloxacin hydrochloride loading capacity.  RSC Advances,  11  (21): (12641-12648).  [PMID:] [10.1039/D1RA00809A]