5-Bromo-1-methylisatin

Modify Date: 2025-08-23 11:25:34

5-Bromo-1-methylisatin Structure
5-Bromo-1-methylisatin structure
Common Name 5-Bromo-1-methylisatin
CAS Number 2058-72-2 Molecular Weight 240.05300
Density 1.729 g/cm3 Boiling Point 362.6ºC at 760 mmHg
Molecular Formula C9H6BrNO2 Melting Point 171 °C
MSDS N/A Flash Point 173.1ºC

 Names

Name 5-bromo-1-methylindole-2,3-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.729 g/cm3
Boiling Point 362.6ºC at 760 mmHg
Melting Point 171 °C
Molecular Formula C9H6BrNO2
Molecular Weight 240.05300
Flash Point 173.1ºC
Exact Mass 238.95800
PSA 37.38000
LogP 1.67320
Vapour Pressure 1.91E-05mmHg at 25°C
Index of Refraction 1.64
InChIKey GEEDYJPPYNIZLX-UHFFFAOYSA-N
SMILES CN1C(=O)C(=O)c2cc(Br)ccc21

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL7878000
CHEMICAL NAME :
Indole-2,3-dione, 5-bromo-1-methyl-
CAS REGISTRY NUMBER :
2058-72-2
BEILSTEIN REFERENCE NO. :
0153375
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H6-Br-N-O2
MOLECULAR WEIGHT :
240.07
WISWESSER LINE NOTATION :
T56 BNVVJ B1 GE

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 :
504 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,858,1981

 Safety Information

HS Code 2933990090

 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%

 5-Bromo-1-methylisatinBioassay

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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
Name: Fluorescence-based counterscreen assay for HCV NS3 helicase inhibitors of a ChemBridg...
Source: 1102
Target: N/A
External Id: 20130627FPNS3INTERFERECB
Name: Cell survival assay for modulators of telomere damage signalling
Source: 15378
Target: N/A
External Id: TELO_02
Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
Name: Fluorescence polarization based primary biochemical high throughput screening assay o...
Source: 1102
Target: NS3 [Hepatitis C virus]
External Id: 20130624FPNS3DACB
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

1-N-methyl-5-bromoisatin
5-bromo-1-methyl-1H-indole-2,3-dione
INDOLE-2,3-DIONE,5-BROMO-1-METHYL
1-methyl-5-bromoindoline-2,3-dione
5-bromo-1-methylindoline-2,3-dione
5-bromo-1-methyl-2,3-dihydro-1H-indole-2,3-dione
5-bromo-1-methyl-indole-2,3-dione
5-Bromo-1-methyl-isatin
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