5-Bromoisatin
Names
[ CAS No. ]:
87-48-9
[ Name ]:
5-Bromoisatin
[Synonym ]:
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
Chemical & Physical Properties
[ 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
MSDS
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 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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
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 ...