3,5-Difluorobenzoyl chloride - CAS 129714-97-2
Catalog: |
BB007009 |
Product Name: |
3,5-Difluorobenzoyl chloride |
CAS: |
129714-97-2 |
Synonyms: |
3,5-difluorobenzoyl chloride |
IUPAC Name: | 3,5-difluorobenzoyl chloride |
Description: | 3,5-Difluorobenzoyl chloride (CAS# 129714-97-2) is a useful research chemical. |
Molecular Weight: | 176.55 |
Molecular Formula: | C7H3ClF2O |
Canonical SMILES: | C1=C(C=C(C=C1F)F)C(=O)Cl |
InChI: | InChI=1S/C7H3ClF2O/c8-7(11)4-1-5(9)3-6(10)2-4/h1-3H |
InChI Key: | OYZWEOORLJBPMA-UHFFFAOYSA-N |
Boiling Point: | 173-175 °C |
Density: | 1.5 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00010309 |
LogP: | 2.34380 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113087713-A | Benzodiazepine derivatives, and preparation method and use thereof | 20210329 |
WO-2021088859-A1 | Indazole compound, pharmaceutical composition of same, and applications thereof | 20191106 |
WO-2021057890-A1 | 2h-benzopyran derivatives as crac inhibitors | 20190925 |
KR-101982667-B1 | Composition for Preventing or Treating TNF-mediated Disease Comprising Novel Derivatives and Method for Inhibiting TNF-activity with the Same | 20181224 |
KR-20190044025-A | Composition for Preventing or Treating TNF-mediated Disease Comprising Novel Derivatives and Method for Inhibiting TNF-activity with the Same | 20181224 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.9840487 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.9840487 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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