Fluoromethyl 4-Methylbenzenesulfonate - CAS 114435-86-8
Catalog: |
BB003394 |
Product Name: |
Fluoromethyl 4-Methylbenzenesulfonate |
CAS: |
114435-86-8 |
Synonyms: |
4-methylbenzenesulfonic acid fluoromethyl ester; fluoromethyl 4-methylbenzenesulfonate |
IUPAC Name: | fluoromethyl 4-methylbenzenesulfonate |
Description: | Fluoromethyl 4-Methylbenzenesulfonate (CAS# 114435-86-8) is a useful research chemical. |
Molecular Weight: | 204.22 |
Molecular Formula: | C8H9FO3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCF |
InChI: | InChI=1S/C8H9FO3S/c1-7-2-4-8(5-3-7)13(10,11)12-6-9/h2-5H,6H2,1H3 |
InChI Key: | RFCGZPLGJZELOK-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.22820 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112479940-A | Production process of high-purity fluoromethyl p-toluenesulfonate | 20201219 |
CN-112174967-A | Alkoxy substituted Latricinib compound and preparation method and application thereof | 20201013 |
WO-2021148420-A1 | Novel heterocyclic compounds | 20200122 |
US-2021236663-A1 | Compounds and probes for imaging huntingtin protein | 20191218 |
WO-2021127265-A1 | Compounds and probes for imaging huntingtin protein | 20191218 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.02564348 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.02564348 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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