α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride - CAS 64312-89-6
Catalog: |
BB032433 |
Product Name: |
α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride |
CAS: |
64312-89-6 |
Synonyms: |
3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
IUPAC Name: | 3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
Description: | α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride (CAS# 64312-89-6 ) is a useful research chemical. |
Molecular Weight: | 252.62 |
Molecular Formula: | C10H8ClF3O2 |
Canonical SMILES: | COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F |
InChI: | InChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3 |
InChI Key: | PAORVUMOXXAMPL-UHFFFAOYSA-N |
Boiling Point: | 213-214 °C (lit.) |
Density: | 1.327 g/mL at 25 °C(lit.) |
MDL: | MFCD00078209 |
LogP: | 3.30380 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113149881-A | Chiral derivatization reagent and preparation method and application thereof | 20210304 |
WO-2020251953-A1 | Streptogramin compositions and the use thereof | 20190610 |
WO-2020046190-A1 | Peptide compounds | 20180828 |
AU-2019329130-A1 | Peptide compounds | 20180828 |
CN-112912383-A | Peptide compounds | 20180828 |
PMID | Publication Date | Title | Journal |
21524942 | 20111101 | Simultaneous determination of selenomethionine enantiomers in biological fluids by stable isotope dilution gas chromatography-mass spectrometry | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
21500319 | 20110501 | Simultaneous determination of serine enantiomers in plasma using Mosher's reagent and stable isotope dilution gas chromatography-mass spectrometry | Journal of mass spectrometry : JMS |
16327194 | 20051201 | A new acetylenic compound from the rhizomes of Atractylodes chinensis and its absolute configuration | Chemical & pharmaceutical bulletin |
16419395 | 20051001 | Quantitative and isomeric determination of amphetamine and methamphetamine from urine using a nonprotic elution solvent and R(-)-alpha-methoxy-alpha-trifluoromethylphenylacetic acid chloride derivatization | Journal of analytical toxicology |
16009602 | 20050905 | Determination of D- and L-enantiomers of methionine and [2H3]methionine in plasma by gas chromatography-mass spectrometry | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.0164917 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.0164917 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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