10-Camphorsulfonyl chloride - CAS 4552-50-5
Catalog: |
BB025912 |
Product Name: |
10-Camphorsulfonyl chloride |
CAS: |
4552-50-5 |
Synonyms: |
[(1R,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride |
IUPAC Name: | (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride |
Description: | 10-Camphorsulfonyl chloride (CAS# 4552-50-5) is used as a the starting material in the synthesis of 10-Camphorsulfonic Acid Ethyl Ester (C175040). It is also used as a reagent in the synthesis of 1-benzhydrylpiperazine derivatives which can exhibit antiproliferative activity in vitro against human cancer cell lines. |
Molecular Weight: | 250.74 |
Molecular Formula: | C10H15ClO3S |
Canonical SMILES: | CC1(C2CCC1(C(=O)C2)CS(=O)(=O)Cl)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 |
InChI Key: | BGABKEVTHIJBIW-XCBNKYQSSA-N |
Boiling Point: | 349.4 °C at 760 mmHg |
Density: | 1.331 g/cm3 |
MDL: | MFCD00064155 |
LogP: | 3.03120 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112645861-A | Method for separating carboprost 15-position isomer | 20201221 |
CN-110746333-A | Method for separating carboprost isomer | 20191031 |
CN-110746333-B | Method for separating carboprost isomer | 20191031 |
WO-2021069572-A1 | Antimicrobial composition for animal feed | 20191008 |
WO-2021057813-A1 | Sulfimide photo-acid generator, photosensitive resin composition, patterning method, use of photosensitive resin composition | 20190925 |
PMID | Publication Date | Title | Journal |
12224931 | 20020918 | A practical catalytic asymmetric addition of alkyl groups to ketones | Journal of the American Chemical Society |
Complexity: | 407 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.0430432 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.0430432 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.6 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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