2,4,6-Trichlorobenzoyl chloride - CAS 4136-95-2
Catalog: |
BB024867 |
Product Name: |
2,4,6-Trichlorobenzoyl chloride |
CAS: |
4136-95-2 |
Synonyms: |
2,4,6-trichlorobenzoyl chloride |
IUPAC Name: | 2,4,6-trichlorobenzoyl chloride |
Description: | 2,4,6-Trichlorobenzoyl chloride (CAS# 4136-95-2) is used for the syntheisis of cytotoxic marine natural product Amphidinolide X and Jasplakinolide (J210700). |
Molecular Weight: | 243.90 |
Molecular Formula: | C7H2Cl4O |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)C(=O)Cl)Cl)Cl |
InChI: | InChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H |
InChI Key: | OZGSEIVTQLXWRO-UHFFFAOYSA-N |
Boiling Point: | 107-108 °C (6 mmHg) |
Purity: | 95 % |
Density: | 1.561 g/cm3 |
Appearance: | Clear yellow liquid |
MDL: | MFCD00075323 |
LogP: | 4.02580 |
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-112999332-A | Esterase response nano-drug and preparation method and application thereof | 20210226 |
CN-112876525-A | 15-membered clarithromycin derivative, preparation method and application thereof | 20210223 |
JP-2021011500-A | Treprostinil derivative compound and its usage | 20201026 |
WO-2021204896-A1 | Macrocyclic diamine derivatives as ent inhibitors for the treatment of cancers, and combination thereof with adenosine receptor antagonists | 20200407 |
CN-113372325-A | Temsirolimus intermediate compound III | 20200310 |
PMID | Publication Date | Title | Journal |
18543990 | 20080704 | Synthesis and evaluation of the cytotoxicity of apoptolidinones A and D | The Journal of organic chemistry |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.883025 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.885975 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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