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Basic Information
CAS No.: 7682-90-8
Name: (7-bromo-2,4-dimethyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8 -yl)oxy-diethoxy-sulfanylidene-phosphorane
Molecular Structure:
Molecular Structure of 7682-90-8 ((7-bromo-2,4-dimethyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8 -yl)oxy-diethoxy-sulfanylidene-phosphorane)
Formula: C12H17 Br N3 O3 P S
Molecular Weight: 394.229
Synonyms: Pyrazolo[1,5-a]pyrimidin-2-ol,3-bromo-5,7-dimethyl-, O-ester with O,O-diethyl phosphorothioate;Pyrazolo[1,5-a]pyrimidine, phosphorothioic acid deriv.; BAY 75546
Density: 1.59g/cm3
Safety: Poison by ingestion. When heated to decomposition it emits very toxic fumes of Br−, NOx, POx, and SOx. See also ESTERS.
PSA: 99.78000
LogP: 4.43550
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  • (3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy-diethoxy-sulfanylidene-5-phosphane

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    7682-90-8

    (3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy-diethoxy-sulfanylidene-5-phosphane

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Chemistry


IUPAC name: (3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy-diethoxy-sulfanylidene-{5}-phosphane
Molecular Formula of  BAY 75546 (CAS NO.7682-90-8): C12H17BrN3O3PS
Molecular Weight: 394.224441 g/mol
Index of Refraction: 1.631
Surface Tension: 49.3 dyne/cm
Density of  BAY 75546 (CAS NO.7682-90-8): 1.59 g/cm3
Following is the structure of BDH 6140 (CAS NO.7548-46-1):

Toxicity Data With Reference

1.    

orl-rat LD50:2000 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology, 21 (1972),315.
2.    

orl-bwd LD50:2400 µg/kg

     TXAPA9    Toxicology and Applied Pharmacology, 21 (1972),315.

Safety Profile

Poison by ingestion. When heated to decomposition it emits very toxic fumes of Br−, NOx, POx, and SOx. See also ESTERS.

Specification

The classification code of  BAY 75546 (CAS NO.7682-90-8) are agricultural chemical and avicide.
  BAY 75, its CAS number is 7682-90-8. It has many synonyms, such as 2-Pyrimidinephosphorothioic acid, 3-bromo-5,7-dimethyl pyrazolyl-, O,O-diethyl ester ; AI3-27607 ; BRN 0698725.