[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl chloride

• ChemBase ID: 295280
• Molecular Formular: C10H15ClO3S
• Molecular Mass: 250.7423
• Monoisotopic Mass: 250.04304302
• SMILES: CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)Cl)C
• Canonical SMILES: O=C1CC2C([C@]1(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/t7?,10-/m1/s1
• InChIKey: BGABKEVTHIJBIW-OMNKOJBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl chloride
• IUPAC Traditional name: [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl chloride
• Synonyms: (1S)-(+)-Camphor-10-sulfonyl chloride; (1S)-(+)-樟脑-10-磺酰氯

Database IDs

• CAS Number: 21286-54-4
• EC Number: 244-314-8
• MDL Number: MFCD00064156
• Beilstein Number: 3205974
• PubChem SID: 180680811
• PubChem CID: 12551833

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

• Melting Point: 64-68°C
• Optical Rotation: +32 (c=1 in chloroform)

Safety Information

• 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%

REFERENCES

• Resolving agent for optically-active alcohols: Chem. Pharm. Bull., 23, 1625 (1975). For use as a chiral leaving group, see: J. Chem. Soc., Perkin 1, 634 (1976).