5-Aminoisophthalic Acid - CAS 99-31-0
Catalog: |
BB042274 |
Product Name: |
5-Aminoisophthalic Acid |
CAS: |
99-31-0 |
Synonyms: |
5-aminobenzene-1,3-dicarboxylic acid; 5-aminobenzene-1,3-dicarboxylic acid |
IUPAC Name: | 5-aminobenzene-1,3-dicarboxylic acid |
Description: | 5-Aminoisophthalic Acid (CAS# 99-31-0) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)N)C(=O)O |
InChI: | InChI=1S/C8H7NO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13) |
InChI Key: | KBZFDRWPMZESDI-UHFFFAOYSA-N |
Boiling Point: | 514.9 °C at 760 mmHg |
Density: | 1.551 g/cm3 |
Appearance: | Light brown powder |
MDL: | MFCD00002522 |
LogP: | 1.24640 |
GHS Hazard Statement: | H302 (32.2%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185439-A | V-shaped chiral carboxylic acid ligand, preparation method and application thereof | 20210511 |
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CN-113117650-A | Defect metal-organic framework desulfurization adsorbent and preparation method and application thereof | 20210415 |
CN-113200883-A | Preparation method of 5-amino-2, 4, 6-triiodo isophthalic acid | 20210414 |
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PMID | Publication Date | Title | Journal |
22590063 | 20120501 | Poly[aqua(μ(3)-5-aza-niumylisophthalato)-(μ-oxalato)neodymium(III)] | Acta crystallographica. Section E, Structure reports online |
22109695 | 20120121 | A series of pillar-layer metal-organic frameworks based on 5-aminoisophthalic acid and 4,4'-bipyridine | Dalton transactions (Cambridge, England : 2003) |
22199611 | 20111201 | Poly[[(μ(3)-5-amino-isophthalato-κO:O:N)(1H-imidazole-κN)zinc] 0.25-hydrate] | Acta crystallographica. Section E, Structure reports online |
22064812 | 20111001 | Poly[(μ(5)-5-amino-isophthalato)aqua-barium] | Acta crystallographica. Section E, Structure reports online |
21753965 | 20110401 | (5-Amino-isophthalato-κN)triaqua-(1,10-phenanthroline-κN,N')nickel(II) trihydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.03750770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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