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77-48-5

77-48-5 structure
77-48-5 structure
Name 1,3-Dibromo-5,5-dimethylhydantoin
Synonyms N,N'-dibromo-5,5-dimethyl hydantoin
1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-
DIBROMANTIN
3-DibroMo-5
DDH
1,3-dibromo-5,5-dimethyl-hydantoin
1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione
1,3-Dibromo-5,5-dimethyl hydantoin
EINECS 201-030-9
1,3-Dibromo-5,5-dimethylhydantoin
Bromotoin
dibromantine
BROMTOIN
DIBROMATIN
1,3-Dibromo-5
DBDMH
1,3-dibromo-4,4-dimethyl-2,5-dioxoimidazolidine
MFCD00003189
Description 1,3-Dibromo-5,5-dimethylhydantoin is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Related Catalog
Target

Alkyl-Chain

In Vitro PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[1].
References

[1]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562.
Density 2.2±0.1 g/cm3
Boiling Point 250.2±23.0 °C at 760 mmHg
Melting Point 197-199 °C (dec.)(lit.)
Molecular Formula C5H6Br2N2O2
Molecular Weight 285.921
Flash Point 105.1±22.6 °C
Exact Mass 283.879578
PSA 40.62000
LogP 1.68
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.622

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MU0686000
CHEMICAL NAME :
Hydantoin, 1,3-dibromo-5,5-dimethyl-
CAS REGISTRY NUMBER :
77-48-5
BEILSTEIN REFERENCE NO. :
0146024
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C5-H6-Br2-N2-O2
MOLECULAR WEIGHT :
285.95
WISWESSER LINE NOTATION :
T5NVNV EHJ AE CE E1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(10),108,1971
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
29 gm/m3/1H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0281-0382
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
20 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0581-0382 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
52 mg/kg/17W-I
TOXIC EFFECTS :
Endocrine - evidence of thyroid hypofunction
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(10),108,1971 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83854 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 124 (estimated)
Symbol GHS03 GHS05 GHS06 GHS09
GHS03, GHS05, GHS06, GHS09
Signal Word Danger
Hazard Statements H272-H301-H314-H317-H410
Precautionary Statements Missing Phrase - N15.00950417-P210-P220-P280-P305 + P351 + P338-P370 + P378
Personal Protective Equipment Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes C:Corrosive
Risk Phrases R22;R34;R50;R8
Safety Phrases S17-S26-S36/37/39-S45-S60-S61
RIDADR UN 3087 5.1/PG 2
WGK Germany 3
RTECS MU0686000
Packaging Group II
Hazard Class 5.1
HS Code 29332100
77-71-4 structure

77-71-4

~99%

77-48-5 structure

77-48-5

Literature: ALBEMARLE CORPORATION Patent: EP1250045 B1, 2003 ;
118-52-5 structure

118-52-5

77-71-4 structure

77-71-4

~%

77-48-5 structure

77-48-5

Literature: US2868787 , ;
143-33-9 structure

143-33-9

67-64-1 structure

67-64-1

~%

77-48-5 structure

77-48-5

Literature: Anales de la Asociacion Quimica Argentina (1921-2001), , vol. 41, p. 153
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%
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