2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid - CAS 355836-10-1
Catalog: |
BB022684 |
Product Name: |
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid |
CAS: |
355836-10-1 |
Synonyms: |
[2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid; [2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid |
IUPAC Name: | [2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid |
Description: | 2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid (CAS# 355836-10-1) is a useful research chemical. |
Molecular Weight: | 235.95 |
Molecular Formula: | C8H8F3O4B |
Canonical SMILES: | B(C1=C(C=C(C=C1)OC(F)(F)F)OC)(O)O |
InChI: | InChI=1S/C8H8BF3O4/c1-15-7-4-5(16-8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3 |
InChI Key: | AJCQJELUJDPGEY-UHFFFAOYSA-N |
Boiling Point: | 312.9 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
MDL: | MFCD04037221 |
LogP: | 0.27360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020060299-A1 | Compound containing oxadiazole, and pharmaceutical composition containing same | 20180921 |
TW-202023547-A | Compound having oxadiazole and pharmaceutical composition containing the same | 20180921 |
US-2021115001-A1 | Compound Having Oxadiazole And Pharmaceutical Composition Containing The Same | 20180921 |
CN-113272285-A | Oxadiazole-containing compound and pharmaceutical composition containing the same | 20180921 |
EP-3854788-A1 | Compound containing oxadiazole, and pharmaceutical composition containing same | 20180921 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.0467734 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.0467734 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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