Methyl 2,4-difluorobenzoate - CAS 106614-28-2
Catalog: |
BB001894 |
Product Name: |
Methyl 2,4-difluorobenzoate |
CAS: |
106614-28-2 |
Synonyms: |
methyl 2,4-difluorobenzoate |
IUPAC Name: | methyl 2,4-difluorobenzoate |
Description: | Methyl 2,4-difluorobenzoate (CAS# 106614-28-2) is a reagent used in the synthesis of pharmaceuticals. Used in the design and synthesis of integrin αvβ3 antagonists displaying antiplatelet activity. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)F)F |
InChI: | InChI=1S/C8H6F2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3 |
InChI Key: | YQUHULOBTDYMAG-UHFFFAOYSA-N |
Boiling Point: | 128-129 °C (lit.) |
Purity: | 95 % |
Density: | 1.268 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD03093799 |
LogP: | 1.75140 |
GHS Hazard Statement: | H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021208963-A1 | Bcl-2 inhibitor | 20200415 |
WO-2021133817-A1 | 1h-pyrrolo[2,3-b]pyridine derivatives as bcl-2 inhibitors for the treatment of neoplastic and autoimmune diseases | 20191227 |
CN-110878098-A | Preparation method of BCL-2 inhibitor-vetila | 20191209 |
CN-112891348-A | Use and pharmaceutical composition of phenyl isoxazolyl methylene-naphthalene-ether derivatives | 20191203 |
CN-112898289-A | Compounds for modulating FXR activity and uses thereof | 20191203 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03358575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03358575 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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