1,3,5-Benzenetricarbonyl trichloride - CAS 4422-95-1
Catalog: |
BB025546 |
Product Name: |
1,3,5-Benzenetricarbonyl trichloride |
CAS: |
4422-95-1 |
Synonyms: |
benzene-1,3,5-tricarbonyl chloride |
IUPAC Name: | benzene-1,3,5-tricarbonyl chloride |
Description: | 1,3,5-Benzenetricarbonyl trichloride (CAS# 4422-95-1) is a versatile aromatic acid halide reagent. |
Molecular Weight: | 265.48 |
Molecular Formula: | C9H3Cl3O3 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)Cl)C(=O)Cl)C(=O)Cl |
InChI: | InChI=1S/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H |
InChI Key: | UWCPYKQBIPYOLX-UHFFFAOYSA-N |
Boiling Point: | 180 °C / 16 mmHg |
Melting Point: | 32-38 °C |
Flash Point: | 110 °C (C.C) |
Purity: | ≥ 99 % |
Density: | 1.487 g/mL at 25 °C (lit.) |
Appearance: | Clear yellow liquid after melting |
Storage: | 0-10 °C |
MDL: | MFCD00000679 |
LogP: | 2.82360 |
GHS Hazard Statement: | H290 (41.98%): May be corrosive to metals [Warning Corrosive to Metals] |
Precautionary Statement: | P234, P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P390, P404, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22606189 | 20120401 | Benzene-1,3,5-tricarbonyl trichloride | Acta crystallographica. Section E, Structure reports online |
19387991 | 20100101 | Synthesis and chiroptical properties of chiral azoaromatic dendrimers with a C3-symmetrical core | Chirality |
20201418 | 20091001 | Interfacially assembled carbohydrate nanocapsules: a hydrophilic macromolecule delivery platform | Journal of biomedical nanotechnology |
19398104 | 20090801 | PTFE/polyamide thin-film composite membranes using PTFE films modified with ethylene diamine polymer and interfacial polymerization: preparation and pervaporation application | Journal of colloid and interface science |
17336992 | 20070501 | Graft polymerization of styrene initiated by covalently bonded peroxide groups on silica | Journal of colloid and interface science |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.914777 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.914777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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