(1S)-(+)-10-Camphorsulfonyl chloride - ≥97% , CAS No.21286-54-4

CAS: 21286-54-4 Cat. No.: C102454 Molecular Weight: 250.74 Beilstein Registry Number: 3205974 EC Number: 244-314-8

GRADE & PURITY ≥97%

Synonyms

A815246 | Camphor-10-sulfonyl chloride | AKOS016842458 | DTXSID90891707 | MFCD00064156 | (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonyl chloride;D(+)-10-Camphorsulfonyl chloride | (1S)-(+)-10-Camphorsulfonyl chloride, 97% | ((1S,4R)-7,7-Dimethyl-2-oxo

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A815246 | Camphor-10-sulfonyl chloride | AKOS016842458 | DTXSID90891707 | MFCD00064156 | (7, 7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonyl chloride;D(+)-10-Camphorsulfonyl chloride | (1S)-(+)-10-Camphorsulfonyl chloride, 97% | ((1S, 4R)-7, 7-Dimethyl-2-oxo

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)Cl)C
• IUPAC Name: [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride
• InChIKey: BGABKEVTHIJBIW-GMSGAONNSA-N
• INCHI: 1S/C10H15ClO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3/t7-,10-/m1/s1
• Isomeric SMILES: CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)Cl)C
• WGK Germany: 3
• UN Number: 3261
• Molecular Weight: 250.74
• Beilstein: 3205974
• Reaxy-Rn: 525867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=525867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Bornane monoterpenoid - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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.
• Specific Rotation[α]: 32 ° (C=1, CHCl3)
• Melt Point(°C): 65-67°C
• Molecular Weight: 250.740 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.043 Da
• Monoisotopic Mass: 250.043 Da
• Topological Polar Surface Area: 59.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 407.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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. Qing Dong, Xinyu Guo, Xinran Qu, Siqi Bai, Xingyu You, Hongshou Cui, Shili Qin, Lidi Gao.  (2023)  Chiral covalent organic framework-based open tubular capillary electrochromatography column for enantioseparation of selected amino acids and pesticides.  TALANTA,      [PMID:36907161] [10.1016/j.talanta.2023.124415]