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About This Item
Empirical Formula (Hill Notation):
C27H27Br2NaO5S
CAS Number:
Molecular Weight:
646.36
EC Number:
252-169-7
UNSPSC Code:
12171500
MDL number:
Beilstein/REAXYS Number:
6887926
grade
ACS reagent
visual transition interval
6.0-7.6, yellow to blue
solubility
clarity passes test
SMILES string
[Na+].CC(C)c1cc(c(C)c(Br)c1O)C(=C2\C=C(C(C)C)C(=O)C(Br)=C2C)\c3ccccc3S([O-])(=O)=O
InChI
1S/C27H28Br2O5S.Na/c1-13(2)18-11-20(15(5)24(28)26(18)30)23(17-9-7-8-10-22(17)35(32,33)34)21-12-19(14(3)4)27(31)25(29)16(21)6;/h7-14,30H,1-6H3,(H,32,33,34);/q;+1/p-1/b23-21+;
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Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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