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Substance
ID:338821
Structure
Similarity
Functional Group
Text
ID:74538
3-Indoleacetonitrile
Sigma Aldrich
ID: 129453
Names and Identifiers
IUPAC Traditional name
indole-3-acetonitrile
IUPAC name
2-(1H-indol-3-yl)acetonitrile
Synonyms
3-吲哚乙腈
3-(Cyanomethyl)indole
Indolylacetonitrile
吲哚-3-乙腈
IAN
NSC 523272
(3-Indolyl)acetonitrile
3-Indoleacetonitrile
Registration numbers
CAS Number
771-51-7
EC Number
212-232-1
MDL Number
MFCD00005628
Beilstein Number
125488
PubChem SID
24847904
Properties
Physical Property
Boiling Point
157-160 °C/0.2 mmHg(lit.)
Flash Point
112 °C
233.6 °F
Melting Point
33-36 °C(lit.)
Safety Information
European Hazard Symbols
Harmful (Xn)
GHS Hazard statements
H302
-
H312
-
H332
GHS Signal Word
Warning
RTECS
AM0700000
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
MSDS Link
Download link
Safety Statements
36/37
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
GHS Precautionary statements
P280
Risk Statements
20/21/22
German water hazard class
3
Product Information
Empirical Formula (Hill Notation)
C10H8N2
Purity
98%
Molecule Details
Packaging
5, 25 g in glass bottle
Application
Reactant for preparation of:
• Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators1
• Histone deacetylase inhibitors2
• Potential kinase inhibitors3
• Kv7/KCNQ potassium channel activators4
• Kinesin-Specific MKLP-2 Inhibitor5
• Pesticides6
• Potential PET cancer imaging agents7
• Agonists of the Farnesoid X Receptor (FXR) as atherosclerosis treatment8
• Butyrylcholinesterase inhibitors9
• Necroptosis inhibitors10
Molecular Spectra
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References
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Properties
Molecule Details
Molecular Spectra
References