3-Indoleacetonitrile
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
Biological Activity
[Description]:
[Related Catalog]:
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
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
Precursor & DownStream
Precursor
DownStream
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
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...