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Merck
CN

16521

Sigma-Aldrich

tert-Butyl 2-isocyano-3-phenylpropionate

≥96.0% (GC)

Synonym(s):

DL-Phenylalanine tert-butyl ester isocyanide

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About This Item

Linear Formula:
C6H5CH2CH(NC)COOC(CH3)3
CAS Number:
Molecular Weight:
231.29
Beilstein:
3971005
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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Assay

≥96.0% (GC)

refractive index

n20/D 1.493

storage temp.

−20°C

SMILES string

CC(C)(C)OC(=O)C(Cc1ccccc1)[N+]#[C-]

InChI

1S/C14H17NO2/c1-14(2,3)17-13(16)12(15-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-3H3

InChI key

ZAWPEVUURWHHNZ-UHFFFAOYSA-N

Application

tert-Butyl 2-isocyano-3-phenylpropionate may be used in the synthesis of cyclic amino acids.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Disclaimer

discolors on storage to deep yellow or deep brownish-yellow

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

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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