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About This Item
Empirical Formula (Hill Notation):
C14H12O6S
CAS Number:
Molecular Weight:
308.31
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
223-772-2
Beilstein/REAXYS Number:
2889165
MDL number:
Assay:
≥97.0% (HPLC)
Form:
powder
assay
≥97.0% (HPLC)
form
powder
impurities
≤10% water
functional group
ketone, phenyl, sulfonic acid
SMILES string
COc1cc(O)c(cc1S(O)(=O)=O)C(=O)c2ccccc2
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)
InChI key
CXVGEDCSTKKODG-UHFFFAOYSA-N
Related Categories
signalword
Warning
hcodes
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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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
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
S M Edwards et al.
Photodermatology, photoimmunology & photomedicine, 10(3), 111-117 (1994-06-01)
The ability to accurately predict the phototoxic potential of personal and skin care products remains a key element in assessing the safety of premarketed products. To find a reliable in vitro alternative test for photoirritancy, the European Commission and the
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