butyl 4-methylbenzenesulfonate - CAS 778-28-9
Catalog: |
BB036051 |
Product Name: |
butyl 4-methylbenzenesulfonate |
CAS: |
778-28-9 |
Synonyms: |
Butyl 4-Toluenesulfonate |
IUPAC Name: | butyl 4-methylbenzenesulfonate |
Description: | Butyl p-Toluenesulfonate (CAS# 778-28-9) is used in preparation of highly-branched chain Ammonium Dicarboxylate Salt. |
Molecular Weight: | 228.31 |
Molecular Formula: | C11H16O3S |
Canonical SMILES: | CCCCOS(=O)(=O)C1=CC=C(C=C1)C |
InChI: | InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
InChI Key: | QYJXDIUNDMRLAO-UHFFFAOYSA-N |
Boiling Point: | 335.4±11.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Solubility: | Soluble in Chloroform, DMSO |
Appearance: | Colorless Oil |
Storage: | Store at -20°C |
MDL: | MFCD00027203 |
LogP: | 3.58120 |
GHS Hazard Statement: | H302 (64.41%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112980421-A | Acidic degradable fracturing ball and preparation method thereof | 20210209 |
CN-112175178-A | Polycarbonate and preparation method and application thereof | 20201016 |
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PMID | Publication Date | Title | Journal |
16438515 | 20060203 | Unsubstituted bicyclo[1.1.0]but-2-ylcarbinyl cations | The Journal of organic chemistry |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.08201554 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.08201554 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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