3-(4-Cyanophenyl)propanoic acid Structure

3-(4-Cyanophenyl)propanoic acid

Chemical Properties

Melting point 138-143°C
Boiling point 362.2±25.0 °C(Predicted)
Density  1.21±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
pka 4.50±0.10(Predicted)
form  solid
Appearance White to off-white Solid
InChI 1S/C10H9NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey RHIGOXBTMPLABF-UHFFFAOYSA-N
SMILES N#Cc1ccc(cc1)CCC(=O)O
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302+H312+H332
Precautionary statements P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Hazard Codes  Xn
Risk Statements  20/21/22-22
Safety Statements  36/37
WGK Germany  3
HazardClass  6.1
HS Code  2926907090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
NFPA 704:
0
2 0

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