3,4-diphenyl-1,2,5,7,8-pentazabicyclo[4.3.0]nona-2,4,6,8-tetraene

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Names

[ CAS No. ]:
37160-06-8

[ Name ]:
3,4-diphenyl-1,2,5,7,8-pentazabicyclo[4.3.0]nona-2,4,6,8-tetraene

Chemical & Physical Properties

[ Density]:
1.32g/cm3

[ Molecular Formula ]:
C₁₆H₁₁N₅

[ Molecular Weight ]:
273.29200

[ Exact Mass ]:
273.10100

[ PSA ]:
55.97000

[ LogP ]:
2.85330

[ Index of Refraction ]:
1.731

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ6158364

CHEMICAL NAME :: 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 6,7-diphenyl-

CAS REGISTRY NUMBER :: 37160-06-8

LAST UPDATED :: 199606

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H11-N5

MOLECULAR WEIGHT :: 273.32

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 :: >300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4405619

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4H-1,2,4-triazole-3,4-diamine
Benzil
Ethanol

DownStream

Related Compounds

[2,2-Difluoro-1-(5-methylfuran-2-yl)cyclopropyl]methanamine
2,2-Difluoro-1-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
2,2-Difluoro-1-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxylic acid
2,2-Difluoro-3-[3-(methylsulfanyl)phenyl]propanoic acid
3,3-Difluoro-3-[2-(pyrrolidin-1-yl)phenyl]propan-1-ol
2-(4-Ethynylphenyl)-2,2-difluoroacetic acid
3,3-Difluoro-3-[2-(pyrrolidin-1-yl)phenyl]propanoic acid
2,2-Difluoro-1-[2-(pyrrolidin-1-yl)phenyl]ethan-1-one
(1R)-2,2,2-trifluoro-1-(2-fluoro-4-nitrophenyl)ethan-1-ol
1-(4-Ethynylphenyl)-2,2-difluorocyclopropan-1-amine

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