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About This Item
Empirical Formula (Hill Notation):
C10H15BrO4S · xH2O
CAS Number:
Molecular Weight:
311.19 (anhydrous basis)
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352115
MDL number:
Assay:
98%
InChI
1S/C10H15BrO4S.H2O/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H2/t6-,7+,10-;/m1./s1
SMILES string
O.CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)[C@H]2Br
InChI key
RQZLIPHNDCFLPR-OFVIFIGMSA-N
assay
98%
optical activity
[α]20/D +94°, c = 1 in H2O
mp
117-121 °C (lit.)
functional group
bromo, ketone, sulfonic acid
Quality Level
Related Categories
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Regulatory Information
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