2,4,5-Trifluoro-3-methoxybenzoyl chloride - CAS 112811-66-2
Catalog: |
BB003050 |
Product Name: |
2,4,5-Trifluoro-3-methoxybenzoyl chloride |
CAS: |
112811-66-2 |
Synonyms: |
2,4,5-trifluoro-3-methoxybenzoyl chloride |
IUPAC Name: | 2,4,5-trifluoro-3-methoxybenzoyl chloride |
Description: | 2,4,5-Trifluoro-3-methoxybenzoyl chloride (CAS# 112811-66-2) is a useful research chemical. |
Molecular Weight: | 224.56 |
Molecular Formula: | C8H4ClF3O2 |
Canonical SMILES: | COC1=C(C(=CC(=C1F)F)C(=O)Cl)F |
InChI: | InChI=1S/C8H4ClF3O2/c1-14-7-5(11)3(8(9)13)2-4(10)6(7)12/h2H,1H3 |
InChI Key: | JVQSZTJTWSUJCR-UHFFFAOYSA-N |
Boiling Point: | 229.2 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.472 g/cm3 |
Appearance: | Colorless or yellowish liquid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD02682012 |
LogP: | 2.49150 |
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-111855848-A | Method for analyzing genotoxic impurities in moxifloxacin hydrochloride starting material | 20200710 |
CN-111635307-A | Synthesis method of 2,4, 5-trifluoro-3-methoxybenzoyl chloride | 20200525 |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
CN-110878082-A | Gatifloxacin and its synthesis method | 20191209 |
CN-110878082-B | Gatifloxacin and its synthesis method | 20191209 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.9851915 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.9851915 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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