2-Chloroethyl p-toluenesulfonate - CAS 80-41-1
Catalog: |
BB036499 |
Product Name: |
2-Chloroethyl p-toluenesulfonate |
CAS: |
80-41-1 |
Synonyms: |
2-chloroethyl 4-methylbenzenesulfonate |
IUPAC Name: | 2-chloroethyl 4-methylbenzenesulfonate |
Description: | 2-Chloroethyl p-toluenesulfonate (CAS# 80-41-1) is a useful reactant for the synthesis of triphenylethanamine derivatives, and fluorinated carbazole derivatives. |
Molecular Weight: | 234.70 |
Molecular Formula: | C9H11ClO3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCCCl |
InChI: | InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3 |
InChI Key: | ZXNMIUJDTOMBPV-UHFFFAOYSA-N |
Boiling Point: | 153 °C (0.3 torr) |
Density: | 1.294 g/cm3 |
MDL: | MFCD00000970 |
LogP: | 3.01990 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021171543-A1 | Mcl1 inhibitors | 20191112 |
WO-2021096860-A1 | Mcl1 inhibitors | 20191112 |
KR-20200054002-A | A polymer, composite positive active material comprising the same, and lithium secondary battery comprising the electrode including the positive active material | 20181109 |
US-2020148797-A1 | Polymer, composite positive active material including the same, and lithium secondary battery including electrode including the positive active material | 20181109 |
AU-2018318692-A1 | Macrocyclic MCL-1 inhibitors and methods of use | 20170815 |
PMID | Publication Date | Title | Journal |
22226040 | 20120305 | Development of chromatographic methods for the determination of genotoxic impurities in cloperastine fendizoate | Journal of pharmaceutical and biomedical analysis |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.0117431 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.0117431 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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