4-Amino-3-nitrobenzoic Acid - CAS 1588-83-6
Catalog: |
BB011470 |
Product Name: |
4-Amino-3-nitrobenzoic Acid |
CAS: |
1588-83-6 |
Synonyms: |
4-amino-3-nitrobenzoic acid; 4-amino-3-nitrobenzoic acid |
IUPAC Name: | 4-amino-3-nitrobenzoic acid |
Description: | 4-Amino-3-nitrobenzoic Acid (CAS# 1588-83-6) is a useful research chemical. |
Molecular Weight: | 182.13 |
Molecular Formula: | C7H6N2O4 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N |
InChI: | InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11) |
InChI Key: | ZZNAYFWAXZJITH-UHFFFAOYSA-N |
Boiling Point: | 417.8 °C at 760 mmHg |
Density: | 1.568 g/cm3 |
Solubility: | >27.3 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00017009 |
LogP: | 1.97960 |
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 |
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PMID | Publication Date | Title | Journal |
21588838 | 20101013 | Bis(μ(2)-4-amino-3-nitro-benzoato)bis-(4-amino-3-nitro-benzoato)octa-butyldi-μ(3)-oxido-tetra-tin(IV) | Acta crystallographica. Section E, Structure reports online |
19073108 | 20071031 | Functionalization of chitosan with 3-nitro-4-amino benzoic acid moiety and its application to the collection/concentration of molybdenum in environmental water samples | Talanta |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.03275668 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 109 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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