CAS 3357-42-4|3-PHENYL-1H-1,2,4-TRIAZOLE

Introduction:Basic information about CAS 3357-42-4|3-PHENYL-1H-1,2,4-TRIAZOLE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-PHENYL-1H-1,2,4-TRIAZOLE
CAS Number3357-42-4Molecular Weight145.16100
Density1.214g/cm3Boiling Point332.7ºC at 760mmHg
Molecular FormulaC8H7N3Melting Point177 °C
MSDS/Flash Point161.3ºC

Names

Name5-phenyl-1H-1,2,4-triazole
SynonymMore Synonyms

Chemical & Physical Properties

Density1.214g/cm3
Boiling Point332.7ºC at 760mmHg
Melting Point177 °C
Molecular FormulaC8H7N3
Molecular Weight145.16100
Flash Point161.3ºC
Exact Mass145.06400
PSA41.57000
LogP1.47170
Index of Refraction1.61
InChIKeyNYMLZIFRPNYAHS-UHFFFAOYSA-N
SMILESc1ccc(-c2ncn[nH]2)cc1

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 CodesXi
HS Code2933990090

Customs

HS Code2933990090
Summary2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

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
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