3,5-Dimethoxyphenyl trifluoromethanesulfonate - CAS 60319-09-7
Catalog: |
BB030654 |
Product Name: |
3,5-Dimethoxyphenyl trifluoromethanesulfonate |
CAS: |
60319-09-7 |
Synonyms: |
(3,5-dimethoxyphenyl) trifluoromethanesulfonate |
IUPAC Name: | (3,5-dimethoxyphenyl) trifluoromethanesulfonate |
Description: | 3,5-Dimethoxyphenyl trifluoromethanesulfonate (CAS# 60319-09-7 ) is a useful research chemical. |
Molecular Weight: | 286.22 |
Molecular Formula: | C9H9F3O5S |
Canonical SMILES: | COC1=CC(=CC(=C1)OS(=O)(=O)C(F)(F)F)OC |
InChI: | InChI=1S/C9H9F3O5S/c1-15-6-3-7(16-2)5-8(4-6)17-18(13,14)9(10,11)12/h3-5H,1-2H3 |
InChI Key: | XCOBIQQRDHVTAN-UHFFFAOYSA-N |
Boiling Point: | 332.5 °C at 760 mmHg |
Density: | 1.415 g/mL at 25 °C(lit.) |
MDL: | MFCD04039976 |
LogP: | 3.01300 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111393265-A | Synthetic method of 3, 5-dihydroxypentylbenzene | 20200414 |
DE-102019129517-A1 | Cationically moisture-induced hardenable mass, use of the mass and methods for joining, potting and coating substrates | 20191031 |
US-2020409221-A1 | Liquid crystal sensor | 20151118 |
US-2016018371-A1 | Detection of gas-phase analytes using liquid crystals | 20130313 |
US-2017212088-A1 | Detection of gas-phase analytes using liquid crystals | 20130313 |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.01227904 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.01227904 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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