4-Chlorocatechol - CAS 2138-22-9
Catalog: |
BB016807 |
Product Name: |
4-Chlorocatechol |
CAS: |
2138-22-9 |
Synonyms: |
4-chlorobenzene-1,2-diol |
IUPAC Name: | 4-chlorobenzene-1,2-diol |
Description: | 4-chlorocatechol was a major degradation product of 4-chloro-2-aminophenol (4C2AP)1. The degradation of 4-chlorocatechol was catalyzed by cphA-I enzyme2. |
Molecular Weight: | 144.56 |
Molecular Formula: | C6H5ClO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)O)O |
InChI: | InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H |
InChI Key: | WWOBYPKUYODHDG-UHFFFAOYSA-N |
Boiling Point: | 140 °C / 10.5 mmHg |
Melting Point: | 90-94 °C (lit.) |
Purity: | 95 % |
Density: | 1.471 g/cm3 |
Appearance: | Solid |
Storage: | Keep tightly closed. |
MDL: | MFCD00059614 |
LogP: | 1.75120 |
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-112011052-A | Functional boron-containing polyarylene sulfide copolymer and preparation method thereof | 20200911 |
CN-111808871-A | Optimized recombination and application of 3-chlorocatechol degradation gene cluster | 20200729 |
CN-111850024-A | Optimized recombination and application of 4-chlorocatechol degradation gene cluster | 20200729 |
WO-2021124059-A1 | Bonded abrasive article and method of making the same | 20191216 |
CN-110845556-A | Target tumor β -galactosidase near-infrared fluorescent probe and preparation method thereof | 20191127 |
PMID | Publication Date | Title | Journal |
21898128 | 20120101 | Isolation, characterization and docking studies of 2,3-dihydroxybiphenyl 1,2-dioxygenase from an activated sludge metagenome | Biotechnology letters |
22655362 | 20120101 | Photocatalytic degradation of 4-chlorophenol under P-modified TiO2/UV system: kinetics, intermediates, phytotoxicity and acute toxicity | Journal of environmental sciences (China) |
22826823 | 20120101 | Characterization of catechol 2,3-dioxygenase from Planococcus sp. strain S5 induced by high phenol concentration | Acta biochimica Polonica |
21802204 | 20110915 | The intermediate products in the degradation of 4-chlorophenol by pulsed high voltage discharge in water | Journal of hazardous materials |
22168001 | 20110901 | Biochemical features of the degradation of pollutants by Rhodococcus as a basis for contaminated wastewater and soil cleanup | Mikrobiologiia |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.9978071 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.9978071 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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