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Merck

09649

5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid

≥97.0% (HPLC)

Synonym(s):

HMBS, Sulisobenzone

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About This Item

Empirical Formula (Hill Notation):
C14H12O6S
CAS Number:
4065-45-6
Molecular Weight:
308.31
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
329748781
EC Number:
223-772-2
Beilstein/REAXYS Number:
2889165
MDL number:
MFCD00024962
Assay:
≥97.0% (HPLC)
Form:
powder

Key Documents

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InChI key

CXVGEDCSTKKODG-UHFFFAOYSA-N

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)

SMILES string

COc1cc(O)c(cc1S(O)(=O)=O)C(=O)c2ccccc2

assay

≥97.0% (HPLC)

form

powder

impurities

≤10% water

functional group

ketone, phenyl, sulfonic acid

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pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

No data available

flash_point_c

No data available

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000451636
0000451636
0000426021
0000426021
0000237737

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Caroline Dayan et al.
Birth defects research. Part B, Developmental and reproductive toxicology, 101(3), 254-261 (2014-05-07)
Exposure to ethylene glycol monomethyl ether (EGME), a glycol ether compound found in numerous industrial products, or to its active metabolite, 2-methoxyacetic acid (2-MAA), increases the incidence of developmental defects. Using an in vitro limb bud culture system, we tested
T Merion Hughes et al.
Contact dermatitis, 56(3), 153-156 (2007-02-14)
Chemical ultraviolet (UV) filters have, over the last few decades, been increasingly used not only in conventional sunscreen products but also in many cosmetics and toiletries. Allergic contact dermatitis as well as photoallergic contact dermatitis reactions have been well documented
N Negreira et al.
Analytica chimica acta, 743, 101-110 (2012-08-14)
The stability of the UV filter benzophenone-4 (BP-4) in free chlorine-containing water was investigated, for the first time, by liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QqTOF-MS). High mass accuracy and resolution capabilities of this hybrid mass spectrometer were used for
B K Shoichet et al.
Science (New York, N.Y.), 259(5100), 1445-1450 (1993-03-05)
A molecular docking computer program (DOCK) was used to screen the Fine Chemical Directory, a database of commercially available compounds, for molecules that are complementary to thymidylate synthase (TS), a chemotherapeutic target. Besides retrieving the substrate and several known inhibitors
M Jarratt et al.
Journal of the American Academy of Dermatology, 9(3), 354-360 (1983-09-01)
A PABA ester-oxybenzone preparation is superior to PABA or sulisobenzone alone in protecting the skin from methoxsalen-induced ultraviolet A (UVA) phototoxicity after water substantivity challenge. Such a mixture would be useful as a UVA screen for uninvolved or actinically damaged
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