CAS 87-48-9|5-Bromoisatin

Introduction:Basic information about CAS 87-48-9|5-Bromoisatin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name5-Bromoisatin
CAS Number87-48-9Molecular Weight226.027
Density1.8±0.1 g/cm3Boiling Point136ºC
Molecular FormulaC8H4BrNO2Melting Point247-252 °C(lit.)
MSDSChineseUSAFlash Point/
Symbol
GHS05, GHS07
Signal WordDanger

Names

Name5-bromo-1H-indole-2,3-dione
SynonymMore Synonyms

Chemical & Physical Properties

Density1.8±0.1 g/cm3
Boiling Point136ºC
Melting Point247-252 °C(lit.)
Molecular FormulaC8H4BrNO2
Molecular Weight226.027
Exact Mass224.942535
PSA46.17000
LogP1.33
Index of Refraction1.650
InChIKeyMBVCESWADCIXJN-UHFFFAOYSA-N
SMILESO=C1Nc2ccc(Br)cc2C1=O

Toxicological Information

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

Safety Information

Symbol
GHS05, GHS07
Signal WordDanger
Hazard StatementsH315-H318-H335
Precautionary StatementsP261-P280-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi:Irritant;
Risk PhrasesR37/38;R41
Safety PhrasesS26-S36/39-S37/39
RIDADR2811
WGK Germany2
RTECSNL7875000
HS Code2933990090

Customs

HS Code2933990090
Summary2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles19

More Articles
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 ...

Synonyms

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]
1H-Indole-2,3-dione, 5-bromo-
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
CAS 2639390-27-3|tert-butyl (2R,3S)-3-amino-2-hydroxy-3-phenylpropanoate
CAS 53667-22-4|2-Benzyl-1,2,3,4-tetrahydroisoquinolin-4-amine
Recommended......
TOP