2-Amino-5-chlorobenzoic Acid - CAS 635-21-2
Catalog: |
BB032180 |
Product Name: |
2-Amino-5-chlorobenzoic Acid |
CAS: |
635-21-2 |
Synonyms: |
2-amino-5-chlorobenzoic acid; 2-amino-5-chlorobenzoic acid |
IUPAC Name: | 2-amino-5-chlorobenzoic acid |
Description: | 2-Amino-5-chlorobenzoic Acid (CAS# 635-21-2) is a chlorinated derivative of anthranilic acid. 5-Chloroanthranilic Acid is a metabolite of the pesticide Chlordimeform. 5-Chloroanthranilic Acid is used in the preparation of disease-modifying antirheumatic drugs (DMARDs). |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C(=O)O)N |
InChI: | InChI=1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11) |
InChI Key: | IFXKXCLVKQVVDI-UHFFFAOYSA-N |
Boiling Point: | 341.5 °C at 760 mmHg |
Density: | 1.476 g/cm3 |
Appearance: | Tan chunks or powder |
MDL: | MFCD00007838 |
LogP: | 2.20160 |
Vapor Pressure: | 0.0000532 [mmHg] |
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 |
CN-113233990-A | Preparation method of 5-chloro-2-aminobenzoic acid intermediate | 20210513 |
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PMID | Publication Date | Title | Journal |
21851087 | 20111013 | Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography | Journal of medicinal chemistry |
21497545 | 20110701 | FT-IR, Raman and DFT study of 2-amino-5-fluorobenzoic acid and its biological activity with other halogen (Cl, Br) substitution | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21589181 | 20101031 | Methyl 2-amino-5-chloro-benzoate | Acta crystallographica. Section E, Structure reports online |
21580754 | 20100327 | 6-Chloro-3-phenethyl-2-thioxo-2,3-di-hydro-quinazolin-4(1H)-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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