2,4-Dichlorobenzoic acid - CAS 50-84-0
Catalog: |
BB027233 |
Product Name: |
2,4-Dichlorobenzoic acid |
CAS: |
50-84-0 |
Synonyms: |
2,4-dichlorobenzoic acid |
Application: |
1-amino-3-methylcyclohexane-1-carboxylic acid (cas# 55550-84-0) is a useful research chemical. |
IUPAC Name: | 2,4-dichlorobenzoic acid |
Description: | Furosemide Impurity E is a di-halogenated benzoic acid derivative and an intermediate in the synthesis of spirodiclofen. It was used in solid-phase extraction and gas chromatographic determination of polar acidic herbicides in surface water. |
Molecular Weight: | 191.01 |
Molecular Formula: | C7H4Cl2O2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)Cl)C(=O)O |
InChI: | InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) |
InChI Key: | ATCRIUVQKHMXSH-UHFFFAOYSA-N |
Boiling Point: | 200 °C (subl) |
Melting Point: | 157-160 °C |
Purity: | > 95 % |
Density: | 1.517 g/cm3 |
Appearance: | White powder or crystals |
MDL: | MFCD00002414 |
LogP: | 2.69160 |
GHS Hazard Statement: | H302 (98.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248373-A | Preparation method of methyl benzoate compound | 20210531 |
CN-113219084-A | HPLC detection method for 2-furanmethanamine and condensation reaction impurities thereof in furosemide and preparation thereof | 20210326 |
CN-112979546-A | Butyrylcholine esterase selective inhibitor and preparation method and application thereof | 20210225 |
CN-112979470-A | Methyl rupestonic acid derivative containing benzoyl and preparation method and application thereof | 20210220 |
CN-112851495-A | Treatment method of paste diacyl peroxide | 20210111 |
PMID | Publication Date | Title | Journal |
22065713 | 20111001 | {4-[(2,4-Dichloro-benzo-yloxy)meth-yl]-1-phenyl-1H-1,2,3-triazol-5-yl}methyl 2,4-dichloro-benzoate | Acta crystallographica. Section E, Structure reports online |
21279468 | 20110701 | Construction, expression, and characterization of a single-chain variable fragment antibody against 2,4-dichlorophenoxyacetic acid in the hemolymph of silkworm larvae | Applied biochemistry and biotechnology |
21074990 | 20110201 | Characterization of multiple chlorobenzoic acid-degrading organisms from pristine and contaminated systems: mineralization of 2,4-dichlorobenzoic acid | Bioresource technology |
21809692 | 20110101 | [Effect of migrepin on activity of trigeminal nucleus caudalis neurons] | Eksperimental'naia i klinicheskaia farmakologiia |
22132052 | 20101201 | Design of a novel nucleoside analog as potent inhibitor of the NAD dependent deacetylase, SIRT2 | Systems and synthetic biology |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.9588348 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.9588348 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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