1,2,4-Triazole

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Names

[ CAS No. ]:
288-88-0

[ Name ]:
1,2,4-Triazole

[Synonym ]:
1,2,4-Triazole
1H-1,2,4-Triazole
PYRRODIAZOLE
1H-1,2,4-triazol
1,2,4-1H-Triazole
T5MN DNJ
pyrrodiazol
4-1H-Triazole
TA-4
sym-triazole
s-Triazole
TRIAZOLE
EINECS 206-022-9
1,2,4-Triazol
MFCD00005228
Voriconazole Impurity 3

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
260.0±9.0 °C at 760 mmHg

[ Melting Point ]:
119-121 °C(lit.)

[ Molecular Formula ]:
C2H3N3

[ Molecular Weight ]:
69.07

[ Flash Point ]:
139.1±11.7 °C

[ Exact Mass ]:
69.032700

[ PSA ]:
41.57000

[ LogP ]:
-0.58

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.535

[ Storage condition ]:
Store at 0-5°C

[ Water Solubility ]:
1250 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ3806000
CHEMICAL NAME :
s-Triazole
CAS REGISTRY NUMBER :
288-88-0
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C2-H3-N3
MOLECULAR WEIGHT :
69.08

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(11),65,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(11),65,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1750 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(11),65,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1350 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(11),65,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
>316 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EESADV Ecotoxicology and Environmental Safety. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1977- Volume(issue)/page/year: 6,149,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
364 mg/kg/26W-I
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Kidney, Ureter, Bladder - proteinuria
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(11),65,1986

Safety Information

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36;R63

[ Safety Phrases ]:
S36/37

[ WGK Germany ]:
2

[ RTECS ]:
XZ3806000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • phenyl(1,2,4-triazol-1-yl)methanone
  • 1-(1H-1, 2, 4-Triazol-1-yl)ethanone
  • 1,2-Diformylhydrazine
  • 1-chloro-1,2,4-triazole
  • 1-Benzyl-1H-1,2,4-triazole
  • Benzylideneaniline
  • Amitrole
  • 1H-1,2,4-Triazole-1-carboxylic acid, 2,2,2-trichloroethyl ester

DownStream

  • ethyl (E)-3-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
  • 2-(2-chlorophenyl)-2-hydroxy-1-(4-methylphenyl)-3-(1,2,4-triazol-1-yl)propan-1-one
  • 1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
  • 2(1H)-Pyrimidinone, 1-(2-deoxy-b-D-erythro-pentofuranosyl)-5-methyl-4-(1H-1,2,4-triazol-1-yl)
  • 1-(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propan-1-one
  • ethyl (E)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
  • 1-(2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
  • 1-[methoxy(phenyl)methyl]-1,2,4-triazole
  • trimethyl(1,2,4-triazol-1-ylmethyl)silane
  • methyl (E)-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate

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

  • 1,2,4-TRIAZOLE
  • 1,2,4-Triazole-d2
  • 1H-1,2,4-triazole
  • 1H-1,2,4-Triazole
  • 1,2,4-Triazole-15N3
  • sodium 1,2,4-triazole