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133481-09-1

Name 1-Cyanocyclohexaneacetic acid
CAS 133481-09-1
Molecular Formula C9H13NO2
MDL Number MFCD04117948
Molecular Weight 167.21
MOL File 133481-09-1.mol
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Chemical Properties

Appearance White Solid
Melting point  98-100°C
Boiling point  356.6±15.0 °C(Predicted)
density  1.13±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Methanol (Slightly)
form  neat
pka 4.72±0.10(Predicted)
BRN  11150802
Major Application pharmaceutical
InChI 1S/C9H13NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-6H2,(H,11,12)
InChIKey YGFXLCAKCKPSQQ-UHFFFAOYSA-N
SMILES OC(=O)CC1(CCCCC1)C#N

Safety Data

Hazard Codes  Xi
Risk Statements 
WGK Germany  WGK 3
HS Code  2926900005
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 3

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