3-Indoleacetonitrile

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Names

[ CAS No. ]:
771-51-7

[ Name ]:
3-Indoleacetonitrile

[Synonym ]:
Indole-3-acetonitrile
3-Indolacetonitrile
(3-Indolyl)acetonitrile
(indol-3-yl)acetonitrile
3-cyanomethyl-1H-indole
Indolylacetonitrile
MFCD00005628
3-Indolylacetonitrile
Indolylacetonitril
Indole-3-acetonitrile (8CI)
usafcb-29
3-acetonitrilindole
EINECS 212-232-1
1H-Indol-3-ylacetonitrile
3-indolyl acetonitrile
(1H-Indol-3-yl)acetonitrile
3-Indoleacetonitrile
IAN
3-indolyl-acetonitril
1H-Indole-3-acetonitrile
Indoleacetonitrile
3-ICN
3-cyanomethylindole

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
374.1±17.0 °C at 760 mmHg

[ Melting Point ]:
33-36 °C(lit.)

[ Molecular Formula ]:
C10H8N2

[ Molecular Weight ]:
156.184

[ Flash Point ]:
127.6±6.1 °C

[ Exact Mass ]:
156.068741

[ PSA ]:
39.58000

[ LogP ]:
1.37

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.673

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM0700000
CHEMICAL NAME :
Acetonitrile, 3-indolyl-
CAS REGISTRY NUMBER :
771-51-7
BEILSTEIN REFERENCE NO. :
0125488
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H8-N2
MOLECULAR WEIGHT :
156.20
WISWESSER LINE NOTATION :
T56 BMJ D1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
255 mg/kg
TOXIC EFFECTS :
Behavioral - coma
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
AM0700000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29339990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Gramine
  • Sodium cyanide
  • 2-(1-methoxycarbonylindol-3-yl)acetonitrile
  • 1-diethylphosphono-3-indolineacetonitrile
  • α-(hydroxyimino)-β-(indol-3-yl)propionic acid
  • Indole-3-carboxaldehyde
  • POTASSIUM CYANIDE
  • 1,2-Dibromoethane
  • tert-Butyl 3-(cyanomethyl)-1H-indole-1-carboxylate
  • 1-benzyl-3-indolylacetonitrile

DownStream

  • (2-bromo-1H-indol-3-yl)-acetonitrile
  • 2-(1-BENZYL-1H-INDOL-3-YL)-ETHYLAMINE
  • Indole-3-carboxaldehyde
  • 1-Methylindole-3-acetonitrile
  • 2-(1-methyl-1H-indol-3-yl)propanenitrile
  • 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole
  • 3-Methylindole
  • Methyl 2-(1H-indol-3-yl)acetate
  • Indole-3-acetamide
  • tert-Butyl 3-(cyanomethyl)-1H-indole-1-carboxylate

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Systematic profiling of indole-3-acetic acid biosynthesis in bacteria using LC-MS/MS.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 988 , 53-8, (2015)

Indole-3-acetic acid (IAA) is produced from tryptophan through five synthesis pathways. A comprehensive method for the quantification of IAA and biosynthesis-related intermediates in a culture medium ...

The extended version of restriction analysis approach for the examination of the ability of low-molecular-weight compounds to modify DNA in a cell-free system.

Food Chem. Toxicol. 75 , 118-27, (2015)

One of the primary requirements in toxicology is the assessment of ability of chemicals to induce DNA covalent modification. There are several well-established methods used for this purpose such as (3...

Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.

J. Med. Chem. 54 , 5320, (2011)

Tryptophan catabolism mediated by indoleamine 2,3-dioxygenase (IDO) is an important mechanism of peripheral immune tolerance contributing to tumoral immune resistance. IDO inhibition is thus an active...


More Articles

Related Compounds

  • 4-iodo-3-indoleacetonitrile
  • 4-nitro-3-indoleacetonitrile
  • 4-bromo-3-indoleacetonitrile
  • 2-vinyl-3-indoleacetonitrile
  • 4-formyl-3-indoleacetonitrile
  • 3-Indoleacetonitrile,7-methoxy
  • 3-(bromomethyl)-6-chloro-2-methyl-4H-chromen-4-one
  • Methyl 3-{[2-(tert-butoxy)-2-oxoethoxy]methyl}-4-methyl-5-sulfanylbenzoate
  • 1-Bromo-2-(2-cyclobutylpropoxy)cyclopentane
  • 3-Amino-5-(azidomethyl)-2,4,6-trimethylbenzaldehyde
  • 3-Amino-5-(azidomethyl)-2,4,6-trimethylbenzene-1-thiol
  • Tert-butyl 4-[3-azido-2,4,6-trimethyl-5-(sulfanylmethyl)phenyl]piperazine-1-carboxylate
  • Tert-butyl 4-[3-(azidomethyl)-2,4,6-trimethyl-5-sulfanylphenyl]piperazine-1-carboxylate
  • 3-Amino-2,4,6-trimethyl-5-(prop-2-yn-1-yl)benzene-1-sulfonyl fluoride
  • 3-Ethynyl-2,4,6-trimethyl-5-[(piperazin-1-yl)methyl]aniline
  • Tert-butyl 4-[3-azido-5-(methoxycarbonyl)-2,4,6-trimethylphenyl]piperazine-1-carboxylate
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