dimethyl [4-nitro-2-(trifluoromethyl)phenyl] phosphate

Modify Date: 2025-08-30 06:10:32

dimethyl [4-nitro-2-(trifluoromethyl)phenyl] phosphate Structure
dimethyl [4-nitro-2-(trifluoromethyl)phenyl] phosphate structure
 Common Name dimethyl [4-nitro-2-(trifluoromethyl)phenyl] phosphate
CAS Number 50589-99-6 Molecular Weight 315.14000
Density 1.485g/cm3 Boiling Point 316.4ºC at 760 mmHg
Molecular Formula C9H9F3NO6P Melting Point N/A
MSDS N/A Flash Point 145.1ºC

 Names

Name dimethyl [4-nitro-2-(trifluoromethyl)phenyl] phosphate

 Chemical & Physical Properties

Density 1.485g/cm3
Boiling Point 316.4ºC at 760 mmHg
Molecular Formula C9H9F3NO6P
Molecular Weight 315.14000
Flash Point 145.1ºC
Exact Mass 315.01200
PSA 100.39000
LogP 3.91650
Index of Refraction 1.472
InChIKey KAYLIAXCGDKBIE-UHFFFAOYSA-N
SMILES COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1C(F)(F)F

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TC5265000
CHEMICAL NAME :
Phosphoric acid, dimethyl 4-nitro-2-(trifluoromethyl)phenyl ester
CAS REGISTRY NUMBER :
50589-99-6
LAST UPDATED :
198702
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-F3-N-O6-P
MOLECULAR WEIGHT :
315.16
WISWESSER LINE NOTATION :
WNR CXFFF DOPO&O1&O1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 3,149,1973
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Chemsrc provides CAS#:50589-99-6 MSDS, density, melting point, boiling point, structure, etc. Its name is dimethyl [4-nitro-2-(trifluoromethyl)phenyl] phosphate>> amp version: dimethyl [4-nitro-2-(trifluoromethyl)phenyl] phosphate

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