2,6-Dichlorobenzoyl chloride - CAS 4659-45-4
Catalog: |
BB026155 |
Product Name: |
2,6-Dichlorobenzoyl chloride |
CAS: |
4659-45-4 |
Synonyms: |
2,6-dichlorobenzoyl chloride |
IUPAC Name: | 2,6-dichlorobenzoyl chloride |
Description: | 2,6-Dichlorobenzoyl chloride (CAS# 4659-45-4) is a useful reagent for preparing antitumor agents. |
Molecular Weight: | 209.46 |
Molecular Formula: | C7H3Cl3O |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl |
InChI: | InChI=1S/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H |
InChI Key: | JBLIDPPHFGWTKU-UHFFFAOYSA-N |
Boiling Point: | 142-143 °C (21 torr) |
Melting Point: | 18 °C |
Purity: | 99 % |
Density: | 1.45 g/cm3 |
Appearance: | Clear slightly yellow liquid |
Storage: | 2-8 °C |
MDL: | MFCD00000662 |
LogP: | 3.37240 |
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 |
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PMID | Publication Date | Title | Journal |
33358762 | 20210301 | The EyeIRR-IS assay: Development and evaluation of an in vitro assay to measure the eye irritation sub-categorization of liquid chemicals | Toxicology in vitro : an international journal published in association with BIBRA |
22590303 | 20120501 | 2,6-Dichloro-N-(4-methyl-phen-yl)benzamide | Acta crystallographica. Section E, Structure reports online |
21837126 | 20110701 | 2,6-Dichloro-N-phenyl-benzamide | Acta crystallographica. Section E, Structure reports online |
21954326 | 20110101 | Solvolyses of benzoyl chlorides in weakly nucleophilic media | International journal of molecular sciences |
21588440 | 20100731 | N-[3,5-Dichloro-4-(1,1,2,2-tetra-fluoro-eth-oxy)phen-yl]-2,6-difluoro-benzamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.924948 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.924948 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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