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691186

Sigma-Aldrich

Allyl cyanoacetate

Lonza quality, ≥99.0% (GC, KF)

Synonym(s):
Cyanoacetic acid allyl ester, Allyl 2-cyanoacetate
Linear Formula:
NCCH2CO2CH2CH=CH2
CAS Number:
Molecular Weight:
125.13
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.23

Quality Level

grade

Lonza quality

assay

≥99.0% (GC, KF)

form

liquid

manufacturer/tradename

Lonza Ltd

impurities

≤0.10% 2-propen-1-ol
≤0.10% water
≤0.15% diallylmalonate
≤500 mg/kg acid (as cyanoacetic acid)

refractive index

n20/D 1.443 (lit.)

bp

110 °C/20 mmHg (lit.)

density

1.070-1.075 g/mL at 20 °C
1.065 g/mL at 25 °C (lit.)

SMILES string

C=CCOC(=O)CC#N

InChI

1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2

InChI key

WXKCRCGKCOKJEF-UHFFFAOYSA-N

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Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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