4,4'-sulphonylbis[2-aminophenol] - CAS 7545-50-8
Catalog:
BB042426
Product Name:
4,4'-sulphonylbis[2-aminophenol]
CAS:
7545-50-8
Synonyms:
3,3'-Diamino-4,4'-dihydroxydiphenyl Sulfone; 4,4'-Sulfonylbis(2-aminophenol); Bis(3-amino-4-hydroxyphenyl) Sulfone; 4,4'-Sulphonylbis(2-aminophenol)
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BB042426
50 g
$519
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IUPAC Name: 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol
Description: 4,4'-sulphonylbis[2-aminophenol] (CAS# 7545-50-8 ) is a useful research chemical.
Molecular Weight: 280.3
Molecular Formula: C12H12N2O4S
Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)O)N)N)O
InChI: InChI=1S/C12H12N2O4S/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2
InChI Key: KECOIASOKMSRFT-UHFFFAOYSA-N
Boiling Point: 596.9±50.0 °C (Predicted)
Melting Point: 231 °C
Purity: > 98.0 % (LC)
Density: 1.564±0.06 g/cm3 (Predicted)
Solubility: >42 [ug/mL] (The mean of the results at pH 7.4)
Appearance: White to gray to brown powder to crystal
Precautionary Statement: P264: Wash thoroughly after handling. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352: IF ON SKIN: Wash with plenty of soap and water. P332+P313: If skin irritation occurs: Get medical advice/attention. P337+P313: If eye irritation persists: Get medical advice/attention. P362+P364: Take off contaminated clothing. [As modified by IV ATP]. And wash it before reuse. [Added by IV ATP].
Complexity: 376
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 280.05177804
Formal Charge: 0
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 4
Isotope Atom Count: 0
Monoisotopic Mass: 280.05177804
Rotatable Bond Count: 2
Topological Polar Surface Area: 135
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.6
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