8.18559
Allyl cyanoacetate
for synthesis
Synonym(s):
Allyl cyanoacetate, Cyanoacetic acid allyl ester
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About This Item
Linear Formula:
NCCH2COOCH2CH=CH2
CAS Number:
Molecular Weight:
125.13
UNSPSC Code:
12352117
EC Index Number:
236-423-4
NACRES:
NA.22
MDL number:
vapor pressure
0.05 hPa
Quality Segment
assay
≥99.0% (GC)
form
liquid
potency
160 mg/kg LD50, oral (Rat)
bp
89-90 °C/5 hPa
mp
-40.0 °C
transition temp
flash point 91 °C
density
1.072 g/cm3 at 20 °C
storage temp.
2-30°C
SMILES string
N#CCC(=O)OCC=C
InChI
1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2
InChI key
WXKCRCGKCOKJEF-UHFFFAOYSA-N
Analysis Note
Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.072 - 1.073
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 1.072 - 1.073
Identity (IR): passes test
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
Certificates of Analysis (COA)
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