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:
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
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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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
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
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 09649-10G | 04061838657046 |