{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride

• ChemBase ID: 163565
• Molecular Formular: C10H15ClO3S
• Molecular Mass: 250.7423
• Monoisotopic Mass: 250.04304302
• SMILES: C1(=O)C2(CCC(C1)C2(C)C)CS(=O)(=O)Cl
• Canonical SMILES: O=C1CC2C(C1(CC2)CS(=O)(=O)Cl)(C)C
• InChI: 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
• InChIKey: BGABKEVTHIJBIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride
• IUPAC Traditional name: {7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride
• Synonyms: (1S,4R)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-methanesulfonyl Chloride; 10-Camphorsulfonyl Chloride; (+)-10-Camphorsulfonic Acid Chloride; (S)-Camphor-10-sulfonyl Chloride; d-Camphorsulfonyl Chloride; (1S)-(+)-10-Camphorsulfonyl Chloride; (1R,4S)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-methanesulfonyl Chloride; (-)-Camphor-10-sulfonyl Chloride; (1R)-(-)-10-Camphorsulfonyl Chloride; L-(-)-10-Camphorsulfonyl chloride; (1R)-(-)-Camphor-10-sulfonyl chloride; (1R)-(-)-樟脑-10-磺酰氯

Database IDs

• CAS Number: 21286-54-4; 39262-22-1
• MDL Number: MFCD00064155
• Beilstein Number: 3205975
• PubChem SID: 162257700
• PubChem CID: 265799

CALCULATED PROPERTIES

• Acid pKa: 19.964539
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7480035
• LogD (pH = 7.4): 1.7480035
• Log P: 1.7480035
• Molar Refractivity: 58.2324 cm^3
• Polarizability: 23.925394 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: White Solid
• Melting Point: 64-68°C
• Optical Rotation: -32 (c=1 in chloroform)

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - C175075

A chiral derivative of Camphor.

Toronto Research Chemicals - C175070

A chiral derivative of Camphor.

REFERENCES

• Peng, R., et al.: Biochem. Pharmacol., 35, 1391 (1986)
• Tanaka, E., et al.: Biochem. Pharmacol., 41, 472 (1986)
• Peng, R., et al.: Biochem. Pharmacol., 35, 1391 (1986)
• Tanaka, E., et al.: Biochem. Pharmacol., 41, 472 (1986)