N-(2-Amino-4-chlorophenyl)anthranilic acid - CAS 67990-66-3
Catalog: |
BB033457 |
Product Name: |
N-(2-Amino-4-chlorophenyl)anthranilic acid |
CAS: |
67990-66-3 |
Synonyms: |
2-(2-amino-4-chloroanilino)benzoic acid |
IUPAC Name: | 2-(2-amino-4-chloroanilino)benzoic acid |
Description: | N-(2-Amino-4-chlorophenyl)anthranilic acid (CAS# 67990-66-3) is a useful research chemical. |
Molecular Weight: | 262.69 |
Molecular Formula: | C13H11ClN2O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)Cl)N |
InChI: | InChI=1S/C13H11ClN2O2/c14-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,15H2,(H,17,18) |
InChI Key: | HMVPMZFEYCGSTC-UHFFFAOYSA-N |
Boiling Point: | 442.4 °C at 760 mmHg |
Melting Point: | 191 °C (dec.)(lit.) |
Purity: | 95 % |
Density: | 1.441 g/cm3 |
Appearance: | White to gray solid |
MDL: | MFCD00007775 |
LogP: | 4.01820 |
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-111718302-A | Clozapine intermediate and synthetic method and application thereof | 20200615 |
CN-111413425-A | Ultra-high performance liquid chromatography analysis method for clozapine-related substances | 20200402 |
CN-110044460-A | Item Management follow-up analysis method and system based on molecule reaction mechanism | 20190516 |
CN-109678805-A | A kind of preparation method of Clozapine intermediate | 20190306 |
US-2020200765-A1 | Broad spectrum gpcr binding agents | 20181204 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.0509053 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.0509053 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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