2-Amino-4-chlorobenzoic Acid - CAS 89-77-0
Catalog: |
BB039587 |
Product Name: |
2-Amino-4-chlorobenzoic Acid |
CAS: |
89-77-0 |
Synonyms: |
2-amino-4-chlorobenzoic acid; 2-amino-4-chlorobenzoic acid |
IUPAC Name: | 2-amino-4-chlorobenzoic acid |
Description: | 2-Amino-4-chlorobenzoic Acid (CAS# 89-77-0) is used in the preparation of quinazolinone derivatives observed to be useful in the treatment of Alzheimer's disease. Also it aids in the synthesis of non-nucleoside, thumb pocket 2 HCV NS5B polymerase inhibitors used in Hepatitis C therapy. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)N)C(=O)O |
InChI: | InChI=1S/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11) |
InChI Key: | JYYLQSCZISREGY-UHFFFAOYSA-N |
Boiling Point: | 330 °C |
Density: | 1.476 g/cm3 |
MDL: | MFCD00007778 |
LogP: | 2.20160 |
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-113354591-A | Synthesis of alkylamino quinazoline and its antineoplastic activity | 20210609 |
CN-112047933-A | Quinazolinone USP7 inhibitor and preparation method and application thereof | 20201015 |
CN-112300141-A | Quinazoline-containing myricetin derivative, and preparation method and application thereof | 20201012 |
CN-111978190-A | Temperature-sensitive fluorescent sensing material and application thereof | 20200824 |
CN-111995537-A | Pressure-sensitive fluorescent sensing material with aggregation-induced emission performance | 20200824 |
PMID | Publication Date | Title | Journal |
22412644 | 20120301 | (E)-(2-Chloro-benzyl-idene)amino 2-amino-4-chloro-benzoate | Acta crystallographica. Section E, Structure reports online |
21522747 | 20101204 | 2-Amino-4-chloro-benzoic acid | Acta crystallographica. Section E, Structure reports online |
21578173 | 20091028 | Bis(2-amino-4-chloro-benzoato)triphenyl-anti-mony(V) | Acta crystallographica. Section E, Structure reports online |
19497948 | 20090901 | Quorum sensing differentially regulates Pseudomonas aeruginosa type VI secretion locus I and homologous loci II and III, which are required for pathogenesis | Microbiology (Reading, England) |
17941706 | 20070914 | Inhibitors of pathogen intercellular signals as selective anti-infective compounds | PLoS pathogens |
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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