2,5-Dichlorobenzoic acid - CAS 50-79-3
Catalog: |
BB027218 |
Product Name: |
2,5-Dichlorobenzoic acid |
CAS: |
50-79-3 |
Synonyms: |
2,5-dichlorobenzoic acid |
IUPAC Name: | 2,5-dichlorobenzoic acid |
Description: | 2,5-Dichlorobenzoic acid (CAS# 50-79-3) is a useful research chemical. |
Molecular Weight: | 191.01 |
Molecular Formula: | C7H4Cl2O2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C(=O)O)Cl |
InChI: | InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
InChI Key: | QVTQYSFCFOGITD-UHFFFAOYSA-N |
Boiling Point: | 301 ℃ |
Melting Point: | 152-157 ℃ |
Purity: | 95 % |
Density: | 1.518 g/cm3 |
Solubility: | less than 1 mg/mL at 66 °F |
Appearance: | White crystalline powder |
MDL: | MFCD00002416 |
LogP: | 2.69160 |
Vapor Pressure: | 0.000447 [mmHg] |
GHS Hazard Statement: | H315 (97.92%): 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 |
CN-113308115-A | Preparation and application of modified zinc oxide-attapulgite/carboxylated polyphenylene sulfide composite material | 20210611 |
CN-113233990-A | Preparation method of 5-chloro-2-aminobenzoic acid intermediate | 20210513 |
CN-112474233-A | Efficient anticorrosive coating with self-cleaning performance and preparation method thereof | 20201221 |
CN-111808425-A | Preparation and application of chitosan/carboxylated polyphenylene sulfide composite material | 20200731 |
WO-2021187459-A1 | Fiber-reinforced thermoplastic resin substrate | 20200318 |
PMID | Publication Date | Title | Journal |
22169245 | 20120130 | Photosensitized degradation of 2,4',5-trichlorobiphenyl (PCB 31) by dissolved organic matter | Journal of hazardous materials |
21664860 | 20110901 | Quantum chemical studies of FT-IR and Raman spectra of methyl 2,5-dichlorobenzoate | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21323771 | 20110301 | A small molecule with differential effects on the PTS1 and PTS2 peroxisome matrix import pathways | The Plant journal : for cell and molecular biology |
21201170 | 20080920 | Methyl 2,5-dichloro-benzoate | Acta crystallographica. Section E, Structure reports online |
16083757 | 20050901 | Screening of organic halogens and identification of chlorinated benzoic acids in carbonaceous meteorites | Chemosphere |
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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