Methyl 2-Methyl-3-(trifluoromethyl)benzoate - CAS 346603-63-2
Catalog: |
BB022226 |
Product Name: |
Methyl 2-Methyl-3-(trifluoromethyl)benzoate |
CAS: |
346603-63-2 |
Synonyms: |
2-methyl-3-(trifluoromethyl)benzoic acid methyl ester; methyl 2-methyl-3-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 2-methyl-3-(trifluoromethyl)benzoate |
Description: | Methyl 2-Methyl-3-(trifluoromethyl)benzoate (CAS# 346603-63-2) is a useful research chemical. |
Molecular Weight: | 218.17 |
Molecular Formula: | C10H9F3O2 |
Canonical SMILES: | CC1=C(C=CC=C1C(F)(F)F)C(=O)OC |
InChI: | InChI=1S/C10H9F3O2/c1-6-7(9(14)15-2)4-3-5-8(6)10(11,12)13/h3-5H,1-2H3 |
InChI Key: | KFJGSNVBDYRBAD-UHFFFAOYSA-N |
LogP: | 2.80040 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021053961-A1 | Substituted benzyl-triazole compounds for cbl-b inhibition, and further uses thereof | 20190626 |
WO-2020264398-A1 | Substituted benzyl-triazole compounds for cbl-b inhibition, and further uses thereof | 20190626 |
WO-2020236654-A1 | Cyano cyclobutyl compounds for cbl-b inhibition and uses thereof | 20190517 |
US-2021053986-A1 | Cyano cyclobutyl compounds for cbl-b inhibition and uses thereof | 20190517 |
TW-201944993-A | CBL-B inhibitor and use method thereof | 20180126 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.05546401 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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