Methyl 2-[3-(Trifluoromethyl)phenyl]acetate - CAS 62451-84-7
Catalog: |
BB031595 |
Product Name: |
Methyl 2-[3-(Trifluoromethyl)phenyl]acetate |
CAS: |
62451-84-7 |
Synonyms: |
2-[3-(trifluoromethyl)phenyl]acetic acid methyl ester; methyl 2-[3-(trifluoromethyl)phenyl]acetate |
IUPAC Name: | methyl 2-[3-(trifluoromethyl)phenyl]acetate |
Description: | Methyl 2-[3-(Trifluoromethyl)phenyl]acetate (CAS# 62451-84-7) is a useful research chemical. |
Molecular Weight: | 218.17 |
Molecular Formula: | C10H9F3O2 |
Canonical SMILES: | COC(=O)CC1=CC(=CC=C1)C(F)(F)F |
InChI: | InChI=1S/C10H9F3O2/c1-15-9(14)6-7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3 |
InChI Key: | GMEBDKGPPKAPEM-UHFFFAOYSA-N |
Boiling Point: | 210.9 °C at 760 mmHg |
Density: | 1.241 g/cm3 |
MDL: | MFCD04039762 |
LogP: | 2.42090 |
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 |
CN-112851665-A | Novel mesoionic compounds and their use in agriculture | 20191128 |
WO-2020020097-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
TW-202016116-A | Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonists | 20180723 |
CN-112469722-A | Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists | 20180723 |
US-2021300936-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
Complexity: | 225 |
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: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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