3-PHENYL-1H-1,2,4-TRIAZOLE

Names

[ Name ]:
3-PHENYL-1H-1,2,4-TRIAZOLE

[Synonym ]:
1H-1,2,4-TRIAZOLE,5-PHENYL
3-Phenyl-1H-[1,2,4]triazol
3-phenyl-1,2,4,(1H)-triazole
2-Fenil-1,3,4-triazolo [Italian]
3-phenyl-1,2,4-triazole
3-Phenyl-1H-1,2,4-triazole
3-Phenyl-<1,2,4>-triazol
S-Triazole,3-phenyl

Chemical & Physical Properties

[ Density]:
1.214g/cm3

[ Boiling Point ]:
332.7ºC at 760mmHg

[ Melting Point ]:
177 °C

[ Molecular Formula ]:
C₈H₇N₃

[ Molecular Weight ]:
145.16100

[ Flash Point ]:
161.3ºC

[ Exact Mass ]:
145.06400

[ PSA ]:
41.57000

[ LogP ]:
1.47170

[ Index of Refraction ]:
1.61

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5251000

CHEMICAL NAME :: 1H-1,2,4-Triazole, 5-phenyl-

CAS REGISTRY NUMBER :: 3357-42-4

LAST UPDATED :: 199009

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H7-N3

MOLECULAR WEIGHT :: 145.18

WISWESSER LINE NOTATION :: T5MN DNJ ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD05 - Lethal Dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 252 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,42,1966

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 387 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,629,1958

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ 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%

Related Compounds

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