3-Indoleacetonitrile

Suppliers

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...

4-iodo-3-indoleacetonitrile
4-nitro-3-indoleacetonitrile
4-bromo-3-indoleacetonitrile
2-vinyl-3-indoleacetonitrile
4-formyl-3-indoleacetonitrile
3-Indoleacetonitrile,7-methoxy
4-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-octahydropyrrolo[3,4-c]pyrrol-2-yl}-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
Ethyl 3-amino-1-adamantylcarboxylate
2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-2H-1,2,3-triazole
(R)-Tert-butyl 2-(6-bromo-1-oxoisoindolin-2-YL)propanoate
5-Methyl-4-{5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-octahydropyrrolo[3,4-c]pyrrol-2-yl}pyrimidine
2-[5-(5-methylpyrimidin-4-yl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
(3-(1H-1,2,3-triazol-5-yl)phenyl)methanamine
(E)-1-Methyl-3-(2-tosylvinyl)benzene
3-{[1-(7-Methoxy-1-benzofuran-2-carbonyl)piperidin-4-yl]methyl}-5,6-dimethyl-3,4-dihydropyrimidin-4-one
3-[(1-Cyclopentanecarbonylpiperidin-4-yl)methyl]-5,6-dimethyl-3,4-dihydropyrimidin-4-one

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