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42198

Sigma-Aldrich

(S)-(+)-3,5-Dinitro-N-(1-phenylethyl)benzamide

for chiral derivatization

Synonym(s):

(S)-(+)-N-(3,5-Dinitrobenzoyl)-α-methylbenzylamine, (S)-(+)-N-(3,5-Dinitrobenzoyl)-1-phenylethylamine

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About This Item

Linear Formula:
C6H5CH(CH3)NHCOC6H3(NO2)2
CAS Number:
69632-31-1
Molecular Weight:
315.28
Beilstein:
3627249
MDL number:
MFCD00064498
UNSPSC Code:
12352000
PubChem Substance ID:
24866406

grade

for chiral derivatization

optical activity

[α]20/D +47±2°, c = 0.9% in acetone

optical purity

enantiomeric ratio: ≥99.5:0.5 (HPLC)

mp

158-161 °C (lit.)
158-161 °C

SMILES string

C[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c2ccccc2

InChI

1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)/t10-/m0/s1

InChI key

ABEVDCGKLRIYRW-JTQLQIEISA-N

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Storage Class Code

13 - Non 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

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Certificates of Analysis (COA)

Lot/Batch Number
061175/1
61175/1

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