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4,4'-Sulfonyldiphenol 97%

CAT: 0286-S11880-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-S11880-01Size:100 g
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CAS Number
80-09-1
Synonyms
Bisphenol S; 4,4'-Dihydroxydipnehyl sulfone; bis- (4-Hydroxyphenyl) sulfone; p-Hydroxyphenyl sulfone
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002350
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Bisphenol S

Bisphenol S (BPS) can cause female reproductive toxicity according to an independent committee of scientific and health experts.

CAS Number80-09-1
PubChem CID6626
IUPAC Name4-(4-hydroxyphenyl)sulfonylphenol
Molecular FormulaC12H10O4S
Molecular Weight250.27
XLogP1.9
Topological Polar Surface Area83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity302
SMILES
C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey
VPWNQTHUCYMVMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bisphenol S
CAS: 80-09-1
CID: 6626
Formula: C12H10O4S
MW: 250.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight250.27
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass250.02997997
Monoisotopic Mass250.02997997
Topological Polar Surface Area83 Ų
Heavy Atom Count17
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes