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About This Item
Empirical Formula (Hill Notation):
C12H17O5P
CAS Number:
Molecular Weight:
272.23
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
97%
InChI
1S/C12H17O5P/c1-12(2)8-16-18(13,14)17-11(12)9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3,(H,13,14)/t11-/m1/s1
SMILES string
COc1ccccc1[C@H]2OP(O)(=O)OCC2(C)C
InChI key
HNFXKRNIAWHFJN-LLVKDONJSA-N
assay
97%
optical activity
[α]22/D −59°, c = 1 in methanol
mp
194-196 °C (lit.)
functional group
phosphate
storage temp.
2-8°C
Quality Level
Related Categories
Application
Chiral phosphoric acid used for the resolution of amines, amino acids, and amino alcohols.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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A.D. van der Maest et al.
Rec. Trav. Chim., 109, 523-523 (1990)
ten Hoeve, W., and Wynberg, H.
The Journal of Organic Chemistry, 50, 4508-4508 (1985)
ten Hoeve, W. and Wynberg, H.
Synthetic Communications, 24, 899-899 (1994)
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