Basic information
- CAS
7545-50-8- Standard SMILES
Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O- InChIKey
KECOIASOKMSRFT-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.05177804
Names & identifiers
- Preferred name
- 4,4'-Sulphonylbis(2-aminophenol)
- IUPAC
- 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol
- English name
- 3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone
- Molecular formula
- C12H12N2O4S
- Molecular weight
- 280.3
Names & synonyms
7545-50-84,4'-Sulphonylbis(2-aminophenol)4,4'-sulphonylbis[2-aminophenol]EINECS 231-428-8DTXSID40226383NSC 155173RefChem:506889DTXCID40148874231-428-83,3'-Diamino-4,4'-dihydroxydiphenyl Sulfone4,4'-Sulfonylbis(2-aminophenol)Bis(3-amino-4-hydroxyphenyl) Sulfone
Show more names
ABPSBis(3-aMinoBIO-FARMA BF0030873,3’-Diamino-4,4’-diPhenol,4,4'-sulfonylbis[2-aMino-2,2'-Diamino-4,4'-sulfonyldiphenolBis(3-aMino-4-hydroxylphenyl)sulfone
MFCD00025181Phenol, 4,4'-sulfonylbis[2-amino-3-amino-4-hydroxyphenyl sulfone2-amino-4-(3-amino-4-hydroxybenzenesulfonyl)phenolBis(3-amino-4-hydroxyphenyl)sulfoneNSC1551732-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol2-amino-4-[(3-amino-4-hydroxyphenyl)sulfonyl]phenol
Database identifiers
- CAS
7545-50-8- PubChem CID
- 82047
- DTXSID
DTXSID40226383
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
Solubility>42 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 231 °C · 231 °C
- Boiling point
- 596.9 · 596.9±50.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- slightly sol. in Methanol
- form
- powder to crystal
- pka
- 6.62 · 6.62±0.20(Predicted)
- color
- White to Gray to Brown
- 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
- InChIKey
- KECOIASOKMSRFT-UHFFFAOYSA-N
- SMILES
- S(C1=CC=C(O)C(N)=C1)(C1=CC=C(O)C(N)=C1)(=O)=O
- CAS DataBase Reference
- 7545 · 7545-50-8(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (97.5%)
Safety data
- hs_code
- 29222990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Description3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone is a kind of fragrant heterocyclic monomer that can be used as the monomer preparing polybenzoxazoles (PBO) speciality polymer functional materials. There are under high temperatures with outstanding mechanical and dielectric properties, except for outstanding thermostability. Also, there is outstanding fibre and film performance, widely used in the aerospace cause, the textile industry and other needs to strengthen the field of resistance to heat.
Uses3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone is an organic reagent mainly used in chemical and experimental research. 3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone and its derivatives can be used in the preparation of a permanently fixing film, an anodic photosensitive resin precursor compositions and moulding compositions containing polyimide components. In addition, 3,3'-diallyl-4,4'-dihydroxydiphenyl sulfone (DA-DHDPS) can be used to prepare fast photocrosslinkable polyethersulfone coatings[1].
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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