Ethanone,1-(5-nitro-1H-indol-3-yl)-

Modify Date: 2025-09-10 14:29:01

Ethanone,1-(5-nitro-1H-indol-3-yl)- structure	Common Name	Ethanone,1-(5-nitro-1H-indol-3-yl)-
	CAS Number	4771-10-2	Molecular Weight	204.18200
	Density	1.405g/cm3	Boiling Point	429.1ºC at 760 mmHg
	Molecular Formula	C₁₀H₈N₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	213.3ºC

Name	1-(5-nitro-1H-indol-3-yl)ethanone
Synonym	More Synonyms

Density	1.405g/cm3
Boiling Point	429.1ºC at 760 mmHg
Molecular Formula	C₁₀H₈N₂O₃
Molecular Weight	204.18200
Flash Point	213.3ºC
Exact Mass	204.05300
PSA	78.68000
LogP	2.80190
Index of Refraction	1.683
InChIKey	MKWCZAGQLZTPIE-UHFFFAOYSA-N
SMILES	CC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL3678500

CHEMICAL NAME :: Indole, 3-acetyl-5-nitro-

CAS REGISTRY NUMBER :: 4771-10-2

BEILSTEIN REFERENCE NO. :: 1533870

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H8-N2-O3

MOLECULAR WEIGHT :: 204.20

WISWESSER LINE NOTATION :: T56 BMJ DV1 GNW

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 :: 562 ug/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#12042

HS Code	2933990090

5-Nitroindole

CAS#:6146-52-7

~99%

Ethanone,1-(5-n...

CAS#:4771-10-2

Literature: Wyeth Patent: US2003/232843 A1, 2003 ; Location in patent: Page 11 ; US 20030232843 A1

N/A

CAS#:1363843-81-5

~95%

Ethanone,1-(5-n...

CAS#:4771-10-2

Literature: Venkatanarayana; Dubey, Pramod K. Letters in Organic Chemistry, 2011 , vol. 8, # 9 p. 656 - 662

3-(5-nitro-1H-i...

CAS#:1363843-23-5

~83%

Ethanone,1-(5-n...

CAS#:4771-10-2

Literature: Venkatanarayana; Dubey, Pramod K. Letters in Organic Chemistry, 2011 , vol. 8, # 9 p. 656 - 662

3-Acetylindole

CAS#:703-80-0

~39%

3-Nitro-1H-indole

CAS#:4770-03-0

Ethanone,1-(5-n...

CAS#:4771-10-2

1-(6-nitro-1H-i...

CAS#:4993-92-4

Literature: Ottoni, Olivia; Cruz, Rosimeire; Krammer, Norbert H. Tetrahedron Letters, 1999 , vol. 40, # 6 p. 1117 - 1120

3-Acetylindole

CAS#:703-80-0

Ethanone,1-(5-n...

CAS#:4771-10-2

Literature: Ottoni, Olivia; Cruz, Rosimeire; Krammer, Norbert H. Tetrahedron Letters, 1999 , vol. 40, # 6 p. 1117 - 1120

1-[1-(benzenesu...

CAS#:99532-45-3

Ethanone,1-(5-n...

CAS#:4771-10-2

1-(6-nitro-1H-i...

CAS#:4993-92-4

Literature: Ottoni, Olivia; Cruz, Rosimeire; Krammer, Norbert H. Tetrahedron Letters, 1999 , vol. 40, # 6 p. 1117 - 1120

1,3-diacetylindole

CAS#:17537-64-3

Ethanone,1-(5-n...

CAS#:4771-10-2

1-(6-nitro-1H-i...

CAS#:4993-92-4

Literature: Ottoni, Olivia; Cruz, Rosimeire; Krammer, Norbert H. Tetrahedron Letters, 1999 , vol. 40, # 6 p. 1117 - 1120

Precursor 5
CAS#:6146-52-7 5-Nitroindole CAS#:1363843-23-5 3-(5-nitro-1H-i... CAS#:703-80-0 3-Acetylindole CAS#:17537-64-3 1,3-diacetylindole
CAS#:99532-45-3 1-[1-(benzenesu...
DownStream 0

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%

1-(5-nitro-indol-3-yl)-ethanone

INDOLE,3-ACETYL-5-NITRO

3-Acetyl-5-nitroindol

3-Acetyl-5-nitroindole

1-(5-nitro-1H-indol-3-yl)ethan-1-one

Methyl-5-nitroindol-3-yl-keton

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.