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133-32-4

Name 3-Indolebutyric acid
CAS 133-32-4
EINECS(EC#) 205-101-5
Molecular Formula C12H13NO2
MDL Number MFCD00005664
Molecular Weight 203.24
MOL File 133-32-4.mol

Chemical Properties

Appearance white to light yellow crystalline powder
Melting point  124-125.5 °C(lit.)
Boiling point  341.55°C (rough estimate)
density  1.1255 (rough estimate)
refractive index  1.5440 (estimate)
storage temp.  2-8°C
solubility  DMF: 25 mg/mL; DMSO: 25 mg/mL; Ethanol: 25 mg/mL; PBS (pH 7.2): 0.1 mg/mL
form  Liquid
pka 4.83±0.10(Predicted)
color  Clear colorless to pale yellow
Stability: Stable. Incompatible with strong oxidizing agents. Light sensitive.
Water Solubility  Soluble in water(0.25g/L).
Sensitive  Air Sensitive
Detection Methods HPLC,NMR
Merck  14,4965
BRN  171120
InChIKey JTEDVYBZBROSJT-UHFFFAOYSA-N
LogP 2.300
CAS DataBase Reference 133-32-4(CAS DataBase Reference)
EPA Substance Registry System 133-32-4(EPA Substance)

Safety Data

Hazard Codes  T,Xi
Risk Statements 
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  NL5250000
8-10-23
Hazard Note  Irritant
TSCA  T
HazardClass  6.1
PackingGroup  III
HS Code  29339990
Hazardous Substances Data 133-32-4(Hazardous Substances Data)

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