Basic information Safety Supplier Related

2-(2,5-DIMETHYL-PYRROL-1-YL)-3-PHENYL-PROPIONIC ACID

Basic information Safety Supplier Related

2-(2,5-DIMETHYL-PYRROL-1-YL)-3-PHENYL-PROPIONIC ACID Basic information

Product Name:
2-(2,5-DIMETHYL-PYRROL-1-YL)-3-PHENYL-PROPIONIC ACID
Synonyms:
  • 2-(2,5-DIMETHYL-PYRROL-1-YL)-3-PHENYL-PROPIONIC ACID
  • 1H-Pyrrole-1-acetic acid, 2,5-dimethyl-α-(phenylmethyl)-
CAS:
130016-75-0
MF:
C15H17NO2
MW:
243.3
Mol File:
Mol File
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2-(2,5-DIMETHYL-PYRROL-1-YL)-3-PHENYL-PROPIONIC ACID Chemical Properties

Boiling point:
409.8±45.0 °C(Predicted)
Density 
1.10±0.1 g/cm3(Predicted)
pka
2.59±0.10(Predicted)
form 
solid
InChI
1S/C15H17NO2/c1-11-8-9-12(2)16(11)14(15(17)18)10-13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKey
CIUPYBFUPLMRLH-UHFFFAOYSA-N
SMILES
Cc1ccc(C)n1C(Cc2ccccc2)C(O)=O
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Safety Information

Hazard Codes 
Xi,Xn
Risk Statements 
22
WGK Germany 
WGK 3
HazardClass 
IRRITANT
Storage Class
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 3 Oral

2-(2,5-DIMETHYL-PYRROL-1-YL)-3-PHENYL-PROPIONIC ACIDSupplier

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Merck KGaA
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