3-acetyl-indole-5-carbonitrile

Modify Date: 2024-01-08 22:24:48

3-acetyl-indole-5-carbonitrile Structure
3-acetyl-indole-5-carbonitrile structure
Common Name 3-acetyl-indole-5-carbonitrile
CAS Number 17380-19-7 Molecular Weight 184.19400
Density 1.28g/cm3 Boiling Point 418ºC at 760 mmHg
Molecular Formula C11H8N2O Melting Point N/A
MSDS N/A Flash Point 206.6ºC

 Names

Name 3-Acetyl-1H-indole-5-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.28g/cm3
Boiling Point 418ºC at 760 mmHg
Molecular Formula C11H8N2O
Molecular Weight 184.19400
Flash Point 206.6ºC
Exact Mass 184.06400
PSA 56.65000
LogP 2.24218
Vapour Pressure 3.38E-07mmHg at 25°C
Index of Refraction 1.647

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5993130
CHEMICAL NAME :
Indole-5-carbonitrile, 3-acetyl-
CAS REGISTRY NUMBER :
17380-19-7
BEILSTEIN REFERENCE NO. :
0391186
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H8-N2-O
MOLECULAR WEIGHT :
184.21
WISWESSER LINE NOTATION :
T56 BMJ DV1 GCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12036

 Synthetic Route

~73%

3-acetyl-indole-5-carbonitrile Structure

3-acetyl-indole...

CAS#:17380-19-7

Literature: Okauchi; Itonaga; Minami; Owa; Kitoh; Yoshino Organic letters, 2000 , vol. 2, # 10 p. 1485 - 1487

~%

3-acetyl-indole-5-carbonitrile Structure

3-acetyl-indole...

CAS#:17380-19-7

Literature: Xu, Hui; Bin Yang, Wen; Wang, Qin Chemical Biology and Drug Design, 2011 , vol. 78, # 5 p. 864 - 868

~%

3-acetyl-indole-5-carbonitrile Structure

3-acetyl-indole...

CAS#:17380-19-7

Literature: Xu, Hui; Bin Yang, Wen; Wang, Qin Chemical Biology and Drug Design, 2011 , vol. 78, # 5 p. 864 - 868

 Synonyms

5-cyano-3-acetylindole
3-Acetyl-5-cyan-indol
INDOLE-5-CARBONITRILE,3-ACETYL
5-Cyano-3-indolylmethyl ketone
3-acetyl-indole-5-carbonitrile
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