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Merck
CN

52054

Octyl 4-nitrophenyl hexylphosphonate

≥95.0% (HPLC)

Synonym(s):

Hexylphosphonic acid octyl 4-nitrophenyl ester

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About This Item

Empirical Formula (Hill Notation):
C20H34NO5P
CAS Number:
Molecular Weight:
399.46
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352202
MDL number:
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Product Name

Octyl 4-nitrophenyl hexylphosphonate, ≥95.0% (HPLC)

InChI

1S/C20H34NO5P/c1-3-5-7-9-10-11-17-25-27(24,18-12-8-6-4-2)26-20-15-13-19(14-16-20)21(22)23/h13-16H,3-12,17-18H2,1-2H3

SMILES string

O=P(OCCCCCCCC)(CCCCCC)OC1=CC=C([N+]([O-])=O)C=C1

InChI key

ASHRBQSEDCWUGD-UHFFFAOYSA-N

assay

≥95.0% (HPLC)

storage temp.

−20°C

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Racemase activity of B. cepacia lipase leads to dual-function asymmetric dynamic kinetic resolution of α-aminonitriles.
Pornrapee Vongvilai et al.
Angewandte Chemie (International ed. in English), 50(29), 6592-6595 (2011-06-03)
G Zandonella et al.
European journal of biochemistry, 262(1), 63-69 (1999-05-07)
Fluorescent triacylglycerol analogs were synthesized as covalent inhibitors of lipase activity. The respective 1(3), 2-O-dialkylglycero-3(1)-alkyl-phosphonic acid p-nitrophenyl esters contain a fluorescent pyrenealkyl chain and a long-chain alkyl residue bound to the sn-2 and sn-1(3) positions of glycerol, respectively. The phosphonic
Nobuhiko Tokuriki et al.
Nature communications, 3, 1257-1257 (2012-12-06)
Optimization processes, such as evolution, are constrained by diminishing returns-the closer the optimum, the smaller the benefit per mutation, and by tradeoffs-improvement of one property at the cost of others. However, the magnitude and molecular basis of these parameters, and

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