Methyl 2-(Trifluoromethoxy)benzoate - CAS 148437-99-4
Catalog: |
BB010300 |
Product Name: |
Methyl 2-(Trifluoromethoxy)benzoate |
CAS: |
148437-99-4 |
Synonyms: |
2-(trifluoromethoxy)benzoic acid methyl ester; methyl 2-(trifluoromethoxy)benzoate |
IUPAC Name: | methyl 2-(trifluoromethoxy)benzoate |
Description: | Methyl 2-(Trifluoromethoxy)benzoate (CAS# 148437-99-4 ) is a useful research chemical. |
Molecular Weight: | 220.15 |
Molecular Formula: | C9H7F3O3 |
Canonical SMILES: | COC(=O)C1=CC=CC=C1OC(F)(F)F |
InChI: | InChI=1S/C9H7F3O3/c1-14-8(13)6-4-2-3-5-7(6)15-9(10,11)12/h2-5H,1H3 |
InChI Key: | VDJYJSUDISVNRS-UHFFFAOYSA-N |
Boiling Point: | 204 °C at 760 mmHg |
Density: | 1.312 g/cm3 |
MDL: | MFCD00052336 |
LogP: | 2.37180 |
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 |
WO-2019168874-A1 | Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same | 20180227 |
US-2021032181-A1 | Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same | 20180227 |
JP-2016124812-A | Compound having ZNF143 inhibitory activity and use thereof | 20141226 |
JP-6533997-B2 | Compound having ZNF143 inhibitory activity and use thereof | 20141226 |
EP-3188729-A1 | Cyclic urea compounds as tropomyosin-related kinase (trk) inhibitors | 20140903 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03472857 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03472857 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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