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Azelaoyl Chloride - >98.0%(GC)(T), high purity , CAS No.123-98-8
Basic Description
Synonyms
EINECS 204-668-6 | FT-0631721 | Azelaoyl Chloride, 98% | AKOS000121289 | Nonanedioyl chloride | Azelayl chloride | Azeoloyl chloride | Azelaoyl chloride | J-005017 | SCHEMBL687819 | Azelaic acid chloride | Azelaic acid dichloride, 98% | A0562 | D88278 | a
Specifications & Purity
≥98%(GC)(T)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504754130
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754130
IUPAC Name
nonanedioyl dichloride
INCHI
InChI=1S/C9H14Cl2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2
InChIKey
HGEVGSTXQGZPCL-UHFFFAOYSA-N
Smiles
C(CCCC(=O)Cl)CCCC(=O)Cl
Isomeric SMILES
C(CCCC(=O)Cl)CCCC(=O)Cl
WGK Germany
3
UN Number
3265
Packing Group
II
Molecular Weight
225.11
Beilstein
1365420
Reaxy-Rn
1365424
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1365424&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Refractive Index
1.47
Flash Point(°F)
>235.4 °F
Flash Point(°C)
>113 °C
Boil Point(°C)
172°C/30mmHg(lit.)
Molecular Weight
225.110 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
224.037 Da
Monoisotopic Mass
224.037 Da
Topological Polar Surface Area
34.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
151.000
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
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D2122065