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2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid

CAT: 0286-H13690-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
4065-45-6
Synonyms
5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid; HMBS; Sulisobenzone
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00024962
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

Sulisobenzone

Sulisobenzone is a member of benzophenones.

CAS Number4065-45-6
PubChem CID19988
IUPAC Name5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
Molecular FormulaC14H12O6S
Molecular Weight308.31
XLogP2.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity462
SMILES
COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O
InChI
InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
InChIKey
CXVGEDCSTKKODG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulisobenzone
CAS: 4065-45-6
CID: 19988
Formula: C14H12O6S
MW: 308.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.31
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass308.03545927
Monoisotopic Mass308.03545927
Topological Polar Surface Area109 Ų
Heavy Atom Count21
Formal Charge0
Complexity462
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

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