13013-02-0

Name METHYL 4-NITROBUTYRATE
CAS 13013-02-0
EINECS(EC#) 235-866-0
Molecular Formula C5H9NO4
MDL Number MFCD00007408
Molecular Weight 147.13
MOL File 13013-02-0.mol
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Chemical Properties

Appearance CLEAR YELLOW TO AMBER LIQUID
Boiling point  106-110 °C9 mm Hg(lit.)
density  1.149 g/mL at 25 °C(lit.)
refractive index  n20/D 1.438(lit.)
Fp  185 °F
storage temp.  2-8°C
solubility  Chloroform, Methanol (Slightly)
form  Oil
pka 8.27±0.29(Predicted)
color  Colourless
BRN  1766154
InChI 1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3
InChIKey UBSPKGKFFQKZJB-UHFFFAOYSA-N
SMILES COC(=O)CCC[N+]([O-])=O
LogP 0.480 (est)

Safety Data

Safety Statements 
WGK Germany  3
RTECS  ET5950970
HS Code  29159000
Storage Class 10 - Combustible liquids

Hazard Information

Spectrum Detail

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