4-PHENYL-4H-1,2,4-TRIAZOLE
Names
[ CAS No. ]:
16227-12-6
[ Name ]:
4-PHENYL-4H-1,2,4-TRIAZOLE
[Synonym ]:
4-phenyl-4H-1,2,4-triazine
1-phenyl 1,3,4-triazole
4-benzene-1,2,4-triazole
4-Phenyl-1H-1,2,4-triazole
1H-1,2,4-Triazole,4-phenyl
Chemical & Physical Properties
[ Density]:
1.16 g/cm3
[ Boiling Point ]:
292.3ºC at 760 mmHg
[ Molecular Formula ]:
C8H7N3
[ Molecular Weight ]:
145.16100
[ Flash Point ]:
130.6ºC
[ Exact Mass ]:
145.06400
[ PSA ]:
30.71000
[ LogP ]:
1.26730
[ Vapour Pressure ]:
0.00184mmHg at 25°C
[ Index of Refraction ]:
1.632
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XZ5250000
- CHEMICAL NAME :
- 1H-1,2,4-Triazole, 4-phenyl-
- CAS REGISTRY NUMBER :
- 16227-12-6
- BEILSTEIN REFERENCE NO. :
- 0115833
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C8-H7-N3
- MOLECULAR WEIGHT :
- 145.18
- WISWESSER LINE NOTATION :
- T5NN DNJ DR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 134 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 47,778,1958
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 38 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 47,778,1958
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 41 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 47,778,1958
Safety Information
[ HS Code ]:
2933990090
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%