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Merck
CN

13732

Sigma-Aldrich

(2S,3R)-(−)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester

≥99.0% (sum of enantiomers, HPLC)

Synonym(s):

(2S,3R)-(−)-4-Benzyloxy-2,3-epoxy-1-butyl 4-nitrobenzoate

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About This Item

Empirical Formula (Hill Notation):
C18H17NO6
CAS Number:
Molecular Weight:
343.33
Beilstein:
5383514
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
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Assay

≥99.0% (sum of enantiomers, HPLC)

optical activity

[α]20/D −34±1°, c = 0.5% in chloroform

mp

78-80 °C

SMILES string

[O-][N+](=O)c1ccc(cc1)C(=O)OC[C@@H]2O[C@@H]2COCc3ccccc3

InChI

1S/C18H17NO6/c20-18(14-6-8-15(9-7-14)19(21)22)24-12-17-16(25-17)11-23-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17+/m1/s1

InChI key

XBAOYRZETQXAAE-SJORKVTESA-N

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Mikael A Molander et al.
Journal of chemical ecology, 45(7), 537-548 (2019-06-30)
Longhorn beetles are ecologically important insects in forest ecosystems as decomposers of woody substrates, microhabitat engineers, and as components of forest food webs. These species can be greatly affected both positively and negatively by modern forestry management practices, and should

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