[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl chloride

• ChemBase ID: 139943
• Molecular Formular: C10H15ClO3S
• Molecular Mass: 250.7423
• Monoisotopic Mass: 250.04304302
• SMILES: CC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)Cl)C
• Canonical SMILES: O=C1C[C@H]2C([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-/m0/s1
• InChIKey: BGABKEVTHIJBIW-XVKPBYJWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl chloride
• IUPAC Traditional name: [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl chloride
• Synonyms: Camphor-10-sulfonic acid chloride; 10-Camphorsulfonyl chloride; (-)-Camphor-10-sulfonyl chloride; (1R)-Camphor-10-sulfonic acid chloride; (1R)-(-)-10-Camphorsulfonyl chloride; 樟脑-10-磺酰氯; 10-樟脑磺酰氯; (-)-樟脑-10-磺酰氯; (1R)-樟脑-10-磺酰氯; (1R)-(-)-10-樟脑磺酰氯

Database IDs

• CAS Number: 39262-22-1; 4552-50-5
• MDL Number: MFCD00064155
• Beilstein Number: 3205975
• PubChem SID: 24852807; 162234189; 24858221; 24858220
• PubChem CID: 9816396

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: 66-68 °C; 66-68 °C(lit.)
• Optical Rotation: [α]18/D -33°, c = 3 in chloroform; [α]20/D -32±2°, c = 1% in chloroform

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-28-36/37/39-45; 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (AT); 97%; 98%
• Grade: for chiral derivatization
• Empirical Formula (Hill Notation): C10H15ClO3S

DETAILS

Sigma Aldrich - 301949

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 301957

Packaging
25 g in glass bottle