4,4'-sulphonylbis[2-aminophenol]
| Catalog Number | Size | Price | Stock | Quantity |
|---|---|---|---|---|
| BPM-013486 | 50 g | $519 | In stock |
Product Information
Molecular Formula
C12H12N2O4S
Molecular Weight
280.3
Description
4,4'-sulphonylbis[2-aminophenol] (CAS# 7545-50-8 ) is a useful research chemical.
Synonyms
3,3'-Diamino-4,4'-dihydroxydiphenyl Sulfone; 4,4'-Sulfonylbis(2-aminophenol); Bis(3-amino-4-hydroxyphenyl) Sulfone; 4,4'-Sulphonylbis(2-aminophenol)
IUPAC Name
2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol
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
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
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].
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].
Computed Properties
XLogP3
0.6
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
280.05177804 g/mol
Monoisotopic Mass
280.05177804 g/mol
Topological Polar Surface Area
135Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
376
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
