5-Bromoisatin

Modify Date: 2026-07-03 18:27:07

5-Bromoisatin structure	Common Name	5-Bromoisatin
	CAS Number	87-48-9	Molecular Weight	226.027
	Density	1.8±0.1 g/cm3	Boiling Point	136ºC
	Molecular Formula	C₈H₄BrNO₂	Melting Point	247-252 °C(lit.)
	MSDS	Chinese USA	Flash Point	N/A
	Symbol	GHS05, GHS07	Signal Word	Danger

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

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

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.8±0.1 g/cm3
Boiling Point	136ºC
Melting Point	247-252 °C(lit.)
Molecular Formula	C₈H₄BrNO₂
Molecular Weight	226.027
Exact Mass	224.942535
PSA	46.17000
LogP	1.33
Index of Refraction	1.650
InChIKey	MBVCESWADCIXJN-UHFFFAOYSA-N
SMILES	O=C1Nc2ccc(Br)cc2C1=O

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

5-Bromoisatin MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL7875000

CHEMICAL NAME :: Indole-2,3-dione, 5-bromo-

CAS REGISTRY NUMBER :: 87-48-9

BEILSTEIN REFERENCE NO. :: 0383760

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C8-H4-Br-N-O2

MOLECULAR WEIGHT :: 226.04

WISWESSER LINE NOTATION :: T56 BMVVJ GE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,821,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 680 mg/kg

TOXIC EFFECTS :: Behavioral - excitement Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - other changes

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 53(2),93,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3430 mg/kg

TOXIC EFFECTS :: Behavioral - excitement Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - other changes

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 53(2),93,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 437 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 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 45 gm/kg/30D-I

TOXIC EFFECTS :: Liver - liver function tests impaired Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 53(2),93,1988

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS05, GHS07
Signal Word	Danger
Hazard Statements	H315-H318-H335
Precautionary Statements	P261-P280-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant;
Risk Phrases	R37/38;R41
Safety Phrases	S26-S36/39-S37/39
RIDADR	2811
WGK Germany	2
RTECS	NL7875000
HS Code	2933990090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 9
CAS#:302-17-0 Chloral hydrate CAS#:106-40-1 4-Bromoaniline CAS#:66475-83-0 N-(4-bromopheny... CAS#:91-56-5 isatin
CAS#:10075-50-0 5-Bromoindole CAS#:152582-28-0 diphenylantimon... CAS#:85976-21-2 N-(4-bromo-2-(2... CAS#:5234-26-4 Acetanilide, 2-...
CAS#:482-89-3 Indigo
DownStream 10
CAS#:108097-99-0 2-[[[(5-bromo-2... CAS#:109496-98-2 5-Phenylisatin CAS#:332073-48-0 5'-BROMOSPIRO[[... CAS#:5109-99-9 6-BROMO-2-PYRID...
CAS#:5109-98-8 6-BROMO-2-PYRID... CAS#:33007-99-7 6-bromo-2-pheny... CAS#:933852-18-7 5-bromo-3'-(p-t... CAS#:32212-38-7 2-Amino-N-(4-me...
CAS#:4290-94-2 1H-Indole-2,3-d... CAS#:5463-29-6 6-bromo-2-oxo-1...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table lists relevant public references with title, journal and publication metadata for this compound.

Mass spectrometry imaging reveals new biological roles for choline esters and Tyrian purple precursors in muricid molluscs.

Sci. Rep. 5 , 13408, (2015)

Despite significant advances in chemical ecology, the biodistribution, temporal changes and ecological function of most marine secondary metabolites remain unknown. One such example is the association...

Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.

J. Med. Chem. 50 , 1876-85, (2007)

Carboxylesterases (CE) are ubiquitous enzymes thought to be responsible for the metabolism and detoxification of xenobiotics. Numerous clinically used drugs including Demerol, lidocaine, capecitabine,...

In vitro cytotoxicity evaluation of some substituted isatin derivatives.

Bioorg. Med. Chem. 15 , 931-8, (2007)

A range of substituted 1H-indole-2,3-diones (isatins) were synthesized using standard procedures and their cytotoxicity evaluated against the human monocyte-like histiocytic lymphoma (U937) cell line ...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibition of human intestinal carboxylesterase expressed in sf21 cells
Source: ChEMBL
Target: N/A
External Id: CHEMBL918626

Name: Inhibition of GST-tagged SARS coronavirus 3C-like protease at 1 mM by FRET assay
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL3102682

Name: Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay
Source: ChEMBL
Target: HepG2
External Id: CHEMBL4273780

Name: Inhibition of human liver CE1 expressed in sf21 cells
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL918627

Name: Antiproliferative activity against human K562 cells after 48 hrs by MTT assay
Source: ChEMBL
Target: K562
External Id: CHEMBL4273779

Name: Inhibition of rabbit liver carboxylesterase expressed in sf21 cells
Source: ChEMBL
Target: N/A
External Id: CHEMBL918628

Name: Inhibitory activity against Falcipain-2; no effect
Source: ChEMBL
Target: Cysteine proteinase falcipain 2a
External Id: CHEMBL682030

Name: Cytotoxicity against human HT-29 cells after 48 hrs by MTT assay
Source: ChEMBL
Target: HT-29
External Id: CHEMBL3106817

Name: Inhibition of human AChE
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL918629

Name: Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay
Source: ChEMBL
Target: HepG2
External Id: CHEMBL3106818

Total 33, Current Page 1 of 4

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

5-monobromoisatin

MFCD00005719

INDOLE-2,3-DIONE,5-BROMO

5-bromo-1,3-dihydro-indol-2-one

5-Bromoindole-2,3-dione

5-Bromisatin [Czech]

Isatin,5-bromo

1H-Indole-2,3-dione,5-bromo

5-Bromo-1H-indole-2,3-dione

5-Bromisatin

5-Bromoindoline-2,3-dione

5-bromo-2,3-dihydro-1H-indole-2,3-dione

EINECS 201-747-7

5-Bromoisatin

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of 5-bromo-1H-indole-2,3-dione?

A: Polar surface area (PSA) of 5-bromo-1H-indole-2,3-dione is 46.17000.

Q: What is the molecular formula of 5-bromo-1H-indole-2,3-dione?

A: Molecular formula of 5-bromo-1H-indole-2,3-dione is C8H4BrNO2.

Q: What is the melting point of 5-bromo-1H-indole-2,3-dione?

A: Melting point of 5-bromo-1H-indole-2,3-dione is 247-252 °C(lit.).

Q: What is the boiling point of 5-bromo-1H-indole-2,3-dione?

A: Boiling point of 5-bromo-1H-indole-2,3-dione is 136ºC.

Q: What English synonyms does 5-bromo-1H-indole-2,3-dione have?

A: English synonyms of 5-bromo-1H-indole-2,3-dione: 5-monobromoisatin, MFCD00005719, INDOLE-2,3-DIONE,5-BROMO, 5-bromo-1,3-dihydro-indol-2-one, 5-Bromoindole-2,3-dione, 5-Bromisatin [Czech], Isatin,5-bromo, 1H-Indole-2,3-dione,5-bromo, 5-Bromo-1H-indole-2,3-dione, 5-Bromisatin, 5-Bromoindoline-2,3-dione, 5-bromo-2,3-dihydro-1H-indole-2,3-dione, EINECS 201-747-7, 5-Bromoisatin.

Q: What is the InChIKey of 5-bromo-1H-indole-2,3-dione?

A: InChIKey of 5-bromo-1H-indole-2,3-dione is MBVCESWADCIXJN-UHFFFAOYSA-N.

Q: What is the SMILES notation of 5-bromo-1H-indole-2,3-dione?

A: SMILES notation of 5-bromo-1H-indole-2,3-dione is O=C1Nc2ccc(Br)cc2C1=O.

Q: What are the upstream materials of 5-bromo-1H-indole-2,3-dione?

A: Related upstream materials(CAS) of 5-bromo-1H-indole-2,3-dione: 302-17-0;106-40-1;66475-83-0;91-56-5;10075-50-0;152582-28-0;85976-21-2;5234-26-4;482-89-3.

Q: What is the molecular weight of 5-bromo-1H-indole-2,3-dione?

A: Molecular weight of 5-bromo-1H-indole-2,3-dione is 226.027.

Q: What is the CAS number of 5-bromo-1H-indole-2,3-dione?

A: CAS number of 5-bromo-1H-indole-2,3-dione is 87-48-9.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Henan Tianfu Chemical Co., Ltd.

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.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 5-Bromoisatin
Price: Check
Purity: 96.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 5-Bromoisatin
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: 5-Bromoisatin
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Get all suppliers and price by the below link:

5-Bromoisatin suppliers

5-Bromoisatin price

5-Bromoisatin

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Articles19

5-BromoisatinBioassay

Synonyms

5-Bromoisatin | FAQ

5-Bromoisatinfactory

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.