2,4,6-Trichlorobenzoic acid - CAS 50-43-1
Catalog: |
BB027053 |
Product Name: |
2,4,6-Trichlorobenzoic acid |
CAS: |
50-43-1 |
Synonyms: |
2,4,6-trichlorobenzoic acid |
IUPAC Name: | 2,4,6-trichlorobenzoic acid |
Description: | 2,4,6-Trichlorobenzoic acid (CAS# 50-43-1) is a useful research chemical compound. |
Molecular Weight: | 225.46 |
Molecular Formula: | C7H3Cl3O2 |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl |
InChI: | InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12) |
InChI Key: | RAFFVQBMVYYTQS-UHFFFAOYSA-N |
Boiling Point: | 329.7 °C at 760 mmHg |
Density: | 1.635 g/cm3 |
MDL: | MFCD00060699 |
LogP: | 3.34500 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021011500-A | Treprostinil derivative compound and its usage | 20201026 |
CN-112062998-A | Method for manufacturing bamboo fiber wallboard capable of removing formaldehyde and releasing negative ions | 20200923 |
US-2021322362-A1 | Antiviral 1,3-di-oxo-indene compounds | 20200420 |
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PMID | Publication Date | Title | Journal |
19817384 | 20091112 | Phenoxy herbicides and fibrates potently inhibit the human chemosensory receptor subunit T1R3 | Journal of medicinal chemistry |
21581503 | 20081210 | catena-Poly[[trimethyl-tin(IV)]-μ-2,4,6-trichloro-benzoato] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.919862 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.919862 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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