10-Undecenoyl chloride - ≥98% , CAS No.38460-95-6

CAS: 38460-95-6 Cat. No.: U101250 Molecular Weight: 202.72 Beilstein Registry Number: 1635112 EC Number: 253-951-0 PubChem CID: 38042

GRADE & PURITY ≥98%

Synonyms

.omega.-Undecylenic acid chloride | 10-Undecenoyl chloride, 97% | A824160 | 66H2RF37V6 | EC 253-951-0 | 10-UNDECENOYL CHLORIDE | U0008 | 10-undecenoylchloride | 10-Undecylenoyl chloride | MFCD00000772 | NSC155178 | NSC-155178 | DTXSID5068106 | LS-14001 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

.omega.-Undecylenic acid chloride | 10-Undecenoyl chloride, 97% | A824160 | 66H2RF37V6 | EC 253-951-0 | 10-UNDECENOYL CHLORIDE | U0008 | 10-undecenoylchloride | 10-Undecylenoyl chloride | MFCD00000772 | NSC155178 | NSC-155178 | DTXSID5068106 | LS-14001 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C=CCCCCCCCCC(=O)Cl
• IUPAC Name: undec-10-enoyl chloride
• InChIKey: MZFGYVZYLMNXGL-UHFFFAOYSA-N
• INCHI: 1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2
• Isomeric SMILES: C=CCCCCCCCCC(=O)Cl
• WGK Germany: 3
• RTECS: YQ2991000
• PubChem CID: 38042
• Molecular Weight: 202.72
• Beilstein: 1635112
• Reaxy-Rn: 1635112

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: 1.45
• Flash Point(°F): 199.4 °F
• Flash Point(°C): 93 °C
• Boil Point(°C): 120-122°C
• Molecular Weight: 202.720 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 202.112 Da
• Monoisotopic Mass: 202.112 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 143.000
• 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

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