2,5-Diaminoterephthalic acid - CAS 945-30-2
Catalog:
BB041408
Product Name:
2,5-Diaminoterephthalic acid
CAS:
945-30-2
Synonyms:
1,4-Benzenedicarboxylic acid, 2,5-diamino-; 2,5-diaminobenzene-1,4-dicarboxylic acid
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BB041408
2 g
$299
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IUPAC Name: 2,5-diaminoterephthalic acid
Description: 2,5-Diaminoterephthalic acid is a useful research chemical compound.
Molecular Weight: 196.16
Molecular Formula: C8H8N2O4
Canonical SMILES: C1=C(C(=CC(=C1N)C(=O)O)N)C(=O)O
InChI: InChI=1S/C8H8N2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,9-10H2,(H,11,12)(H,13,14)
InChI Key: WIOZZYWDYUOMAY-UHFFFAOYSA-N
Boiling Point: 493.0±45.0 °C (Predicted)
Melting Point: >300 °C
Purity: ≥95%
Density: 1.647±0.06 g/cm3 (Predicted)
Storage: Keep in dark place, Inert atmosphere, Room temperature
MDL: MFCD00464161
LogP: 1.40980
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word: Warning
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Complexity: 230
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 196.04840674
Formal Charge: 0
Heavy Atom Count: 14
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 4
Isotope Atom Count: 0
Monoisotopic Mass: 196.04840674
Rotatable Bond Count: 2
Topological Polar Surface Area: 127
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.7
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