3,5-Dichlorocatechol - CAS 13673-92-2
Catalog: |
BB008401 |
Product Name: |
3,5-Dichlorocatechol |
CAS: |
13673-92-2 |
Synonyms: |
3,5-dichlorobenzene-1,2-diol |
IUPAC Name: | 3,5-dichlorobenzene-1,2-diol |
Description: | 3,5-Dichlorocatechol (CAS# 13673-92-2 ) is a useful research chemical. |
Molecular Weight: | 179.00 |
Molecular Formula: | C6H4Cl2O2 |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)O)O)Cl |
InChI: | InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H |
InChI Key: | XSXYVLIPQMXCBV-UHFFFAOYSA-N |
Boiling Point: | 270.6 °C at 760 mmHg |
Density: | 1.624 g/cm3 |
MDL: | MFCD02683889 |
LogP: | 2.40460 |
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 |
WO-2020057356-A1 | Organic metal-free catalyst having both electrophilic and nucleophilic functions, preparation method therefor, and application thereof | 20180921 |
US-10428347-B2 | Herbicide-detoxifying enzymes and uses thereof | 20170724 |
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PMID | Publication Date | Title | Journal |
20040374 | 20100601 | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts | Journal of structural biology |
18172576 | 20080901 | Induction of enzymes of 2,4-dichlorophenoxyacetate degradation in Burkholderia cepacia 2a and toxicity of metabolic intermediates | Biodegradation |
18389149 | 20080301 | Transformation of phenolic compounds upon UVA irradiation of anthraquinone-2-sulfonate | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
18075091 | 20071115 | Carbon suboxide, a highly reactive intermediate from the abiotic degradation of aromatic compounds in soil | Environmental science & technology |
16637006 | 20060601 | Pseudomonas putida KT2440 responds specifically to chlorophenoxy herbicides and their initial metabolites | Proteomics |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.9588348 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.9588348 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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