DesMethyl Bromethalin

Modify Date: 2025-09-28 18:05:16

DesMethyl Bromethalin Structure
DesMethyl Bromethalin structure
Common Name DesMethyl Bromethalin
CAS Number 57729-86-9 Molecular Weight 563.90400
Density 2.158g/cm3 Boiling Point 438.1ºC at 760 mmHg
Molecular Formula C13H5Br3F3N3O4 Melting Point N/A
MSDS N/A Flash Point 218.8ºC

 Names

Name 2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 2.158g/cm3
Boiling Point 438.1ºC at 760 mmHg
Molecular Formula C13H5Br3F3N3O4
Molecular Weight 563.90400
Flash Point 218.8ºC
Exact Mass 560.77800
PSA 103.67000
LogP 7.67230
Index of Refraction 1.662
InChIKey INVHIPJJDSPNJY-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c(Br)cc(Br)cc2Br)c(C(F)(F)F)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY0385000
CHEMICAL NAME :
Benzenamine, 2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluorometh yl)-
CAS REGISTRY NUMBER :
57729-86-9
LAST UPDATED :
199710
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H5-Br3-F3-N3-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
7500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 11,664,1988

 Synthetic Route

~%

DesMethyl Bromethalin Structure

DesMethyl Brome...

CAS#:57729-86-9

Literature: AT339089DE2509416 , ; Chem.Abstr., , vol. 84, # 30639

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

2,4,6-tribromo-2',4'-dinitro-6'-trifluoromethyldiphenylamine
Desmethylbromethalin
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