2-Aminoterephthalic Acid - CAS 10312-55-7
Catalog: |
BB001020 |
Product Name: |
2-Aminoterephthalic Acid |
CAS: |
10312-55-7 |
Synonyms: |
2-aminobenzene-1,4-dicarboxylic acid |
IUPAC Name: | 2-aminoterephthalic acid |
Description: | 2-Aminoterephthalic Acid (CAS# 10312-55-7) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)N)C(=O)O |
InChI: | InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13) |
InChI Key: | GPNNOCMCNFXRAO-UHFFFAOYSA-N |
Boiling Point: | 450.7±40.0 °C at 760 mmHg |
Melting Point: | 324 °C (dec.) (lit.) |
Density: | 1.6±0.1 g/cm3 |
Solubility: | Insoluble in H2O; Slightly soluble in MeOH, DMSO |
Appearance: | Yellow powder |
MDL: | MFCD00134536 |
LogP: | 1.24640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, 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 |
23066527 | 20121204 | Surface design of core-shell superparamagnetic iron oxide nanoparticles drives record relaxivity values in functional MRI contrast agents | Chemical communications (Cambridge, England) |
22907833 | 20121112 | Evidence of photoinduced charge separation in the metal-organic framework MIL-125(Ti)-NH2 | Chemphyschem : a European journal of chemical physics and physical chemistry |
22871803 | 20120926 | Alkylaminopyridine-modified aluminum aminoterephthalate metal-organic frameworks as components of reactive self-detoxifying materials | ACS applied materials & interfaces |
22904941 | 20120801 | 2-Amino-terephthalic acid N,N-dimethyl-formamide disolvate | Acta crystallographica. Section E, Structure reports online |
22634634 | 20120701 | A biased ligand for OXE-R uncouples Gα and Gβγ signaling within a heterotrimer | Nature chemical biology |
Complexity: | 228 |
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: | 1.6 |
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