3-Indoleacetonitrile

Modify Date: 2024-01-02 11:15:41

3-Indoleacetonitrile Structure
3-Indoleacetonitrile structure
Common Name 3-Indoleacetonitrile
CAS Number 771-51-7 Molecular Weight 156.184
Density 1.2±0.1 g/cm3 Boiling Point 374.1±17.0 °C at 760 mmHg
Molecular Formula C10H8N2 Melting Point 33-36 °C(lit.)
MSDS Chinese USA Flash Point 127.6±6.1 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of 3-Indoleacetonitrile


3-Indoleacetonitrile is an endogenous metabolite.

 Names

Name indole-3-acetonitrile
Synonym More Synonyms

 3-Indoleacetonitrile Biological Activity

Description 3-Indoleacetonitrile is an endogenous metabolite.
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

 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
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

 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%

 Articles33

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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.

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

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 Synonyms

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
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