3-Acetylindole

Modify Date: 2025-08-23 12:26:16

3-Acetylindole Structure
3-Acetylindole structure
 Common Name 3-Acetylindole
CAS Number 703-80-0 Molecular Weight 159.185
Density 1.2±0.1 g/cm3 Boiling Point 333.9±15.0 °C at 760 mmHg
Molecular Formula C10H9NO Melting Point 188-192 °C(lit.)
MSDS Chinese USA Flash Point 163.7±27.8 °C

 Use of 3-Acetylindole


 

 Names

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

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 333.9±15.0 °C at 760 mmHg
Melting Point 188-192 °C(lit.)
Molecular Formula C10H9NO
Molecular Weight 159.185
Flash Point 163.7±27.8 °C
Exact Mass 159.068420
PSA 32.86000
LogP 2.06
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.648
InChIKey VUIMBZIZZFSQEE-UHFFFAOYSA-N
SMILES CC(=O)c1c[nH]c2ccccc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OB4520000
CHEMICAL NAME :
Ketone, indol-3-yl methyl
CAS REGISTRY NUMBER :
703-80-0
BEILSTEIN REFERENCE NO. :
0122579
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N-O
MOLECULAR WEIGHT :
159.20
WISWESSER LINE NOTATION :
T56 BMJ DV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 9,453,1974

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS OB4520000
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%

 Articles1

More Articles
Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor.

Bioorg. Med. Chem. Lett. 19 , 4167-70, (2009)

A novel series of 1-(benzo[b]thiophen-2-yl)ethanone analogues were prepared and evaluated for enhancing BMP-2 expression. Compounds 1-5, 7, 8, 12, 13 and 16, with upregulation rate values of 35.6%, 27...

 3-AcetylindoleBioassay

View more

Name: Inverse agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-...
Source: ChEMBL
Target: Nuclear receptor subfamily 4 group A member 2
External Id: CHEMBL4840093
Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
Name: Binding affinity to 15N-labeled recombinant human PBRM1 BD2 transfected in Escherichi...
Source: ChEMBL
Target: Protein polybromo-1
External Id: CHEMBL5112648
Name: Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryp...
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL3097527
Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
Name: Binding affinity to 15N-labeled recombinant human PBRM1 BD2 transfected in Escherichi...
Source: ChEMBL
Target: Protein polybromo-1
External Id: CHEMBL5112649
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: Enhancement of BMP-2 expression in mouse MC3T3-E1 cells assessed as upregulation rate...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1064175
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-FF
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 Synonyms

1-(1H-indol-3-yl)-ethanone
3-indolyl-methyl-ketone
Acetyl-3-indole
1-(1H-Indol-3-yl)ethanone
3-Acetyl-1H-indole
Indol-3-yl methyl ketone
KETONE,INDOL-3-YL METHYL
EINECS 211-875-5
Ethanone,1-(1H-indol-3-yl)
MFCD00005626
3-acetyl indole
3-Acetylindole
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