ChemicalBook--->CAS DataBase List--->771-51-7

771-51-7

771-51-7 Structure

771-51-7 Structure
IdentificationMore
[Name]

3-Indoleacetonitrile
[CAS]

771-51-7
[Synonyms]

(1H-INDOL-3-YL)-ACETONITRILE
2-(1H-INDOL-3-YL)ACETONITRILE
3-INDOLEACETONITRILE
3-INDOLYLACETONITRILE
BETA-INDOLYLACETONITRILE
INDOLE-3-ACETONITRILE
INDOLYL-3-ACETONITRILE
1h-indole-3-acetonitrile
3-(Cyanomethyl)indole
3-Indolacetonitrile
3-indolyl-acetonitril
Acetonitrile, 3-indolyl-
beta-Indoleacetonitrile
Indoleacetonitrile
Indolylacetonitril
Indolylacetonitrile
USAF cb-29
usafcb-29
indol-3-ylacetonitrile
3-INDOLYLACETONITRILE PESTANAL, 250 MG
[EINECS(EC#)]

212-232-1
[Molecular Formula]

C10H8N2
[MDL Number]

MFCD00005628
[Molecular Weight]

156.18
[MOL File]

771-51-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow-brown to brown liquid after melting
[Melting point ]

33-36 °C(lit.)
[Boiling point ]

157-160 °C0.2 mm Hg(lit.)
[density ]

1.1566 (rough estimate)
[refractive index ]

1.6085-1.6105
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform, DMSO (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

16.32±0.30(Predicted)
[color ]

Clear colorless to yellow
[BRN ]

125488
[InChIKey]

DMCPFOBLJMLSNX-UHFFFAOYSA-N
[CAS DataBase Reference]

771-51-7(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Indole-3-acetonitrile(771-51-7)
[EPA Substance Registry System]

771-51-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H302-H312-H332
[Precautionary statements ]

P280h-P301+P312a-P304+P340-P321-P501a-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P403+P233-P405-P501
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

3276
[WGK Germany ]

3
[RTECS ]

AM0700000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29339990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Indoleacetonitrile(771-51-7).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow-brown to brown liquid after melting
[Uses]

Reactant for preparation of:
  • Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
  • Histone deacetylase inhibitors
  • Potential kinase inhibitors
  • Kv7/KCNQ potassium channel activators
  • Kinesin-Specific MKLP-2 Inhibitor
  • Pesticides
  • Potential PET cancer imaging agents
  • Agonists of the Farnesoid X Receptor (FXR) as atherosclerosis treatment
  • Butyrylcholinesterase inhibitors
  • Necroptosis inhibitors
[Definition]

ChEBI: A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group.
[Synthesis Reference(s)]

Canadian Journal of Chemistry, 39, p. 1340, 1961 DOI: 10.1139/v61-169
Journal of the American Chemical Society, 75, p. 3589, 1953 DOI: 10.1021/ja01110a506
[General Description]

3-Indoleacetonitrile (Indolylacetonitrile) is a light-induced auxin-inhibitory substance that is isolated from light-grown cabbage (Brassica olearea L.) shoots. It inhibits the biofilm formation of both E. coli O157:H7 and P. aeruginosa without affecting its growth.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

3-Indoleacetonitrile(771-51-7)MS
3-Indoleacetonitrile(771-51-7)1HNMR
3-Indoleacetonitrile(771-51-7)13CNMR
3-Indoleacetonitrile(771-51-7)IR1
3-Indoleacetonitrile(771-51-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Indolylacetonitrile, 98%(771-51-7)
[Alfa Aesar]

Indole-3-acetonitrile, 98%(771-51-7)
[Sigma Aldrich]

771-51-7(sigmaaldrich)
[TCI AMERICA]

3-Indoleacetonitrile,>98.0%(GC)(771-51-7)
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