3-METHYL-4-PHENYL-1H-1,2,4-TRIAZOL-5(4H)-ONE

Modify Date: 2025-08-27 18:50:02

3-METHYL-4-PHENYL-1H-1,2,4-TRIAZOL-5(4H)-ONE Structure
3-METHYL-4-PHENYL-1H-1,2,4-TRIAZOL-5(4H)-ONE structure
Common Name 3-METHYL-4-PHENYL-1H-1,2,4-TRIAZOL-5(4H)-ONE
CAS Number 1010-54-4 Molecular Weight 175.18700
Density 1.27g/cm3 Boiling Point 409.1ºC at 760mmHg
Molecular Formula C9H9N3O Melting Point 153-154ºC
MSDS N/A Flash Point 201.2ºC

 Names

Name 3-methyl-4-phenyl-1H-1,2,4-triazol-5-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.27g/cm3
Boiling Point 409.1ºC at 760mmHg
Melting Point 153-154ºC
Molecular Formula C9H9N3O
Molecular Weight 175.18700
Flash Point 201.2ºC
Exact Mass 175.07500
PSA 50.68000
LogP 0.86900
Vapour Pressure 2.81E-07mmHg at 25°C
Index of Refraction 1.644
InChIKey CCPJMTJIFZSNOH-UHFFFAOYSA-N
SMILES Cc1n[nH]c(=O)n1-c1ccccc1

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2933990090

 Synthetic Route

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3-METHYL-4-PHENYL-1H-1,2,4-TRIAZOL-5(4H)-ONE Structure

3-METHYL-4-PHEN...

CAS#:1010-54-4

Literature: WO2007/18941 A2, ; Page/Page column 46 ; WO 2007/018941 A2

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3-METHYL-4-PHENYL-1H-1,2,4-TRIAZOL-5(4H)-ONE Structure

3-METHYL-4-PHEN...

CAS#:1010-54-4

Literature: Collection of Czechoslovak Chemical Communications, , vol. 50, # 2 p. 779 - 788

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3-METHYL-4-PHENYL-1H-1,2,4-TRIAZOL-5(4H)-ONE Structure

3-METHYL-4-PHEN...

CAS#:1010-54-4

Literature: Justus Liebigs Annalen der Chemie, , vol. 615, p. 60,63

 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%

 Synonyms

3-Methyl-4-phenyl-4,5-dihydro-1,2,4-triazolon-(5)
2,4-Dihydro-5-methyl-4-phenyl-3H-1,2,4-triazol-3-one
methylphenyldihydrotriazolone
5-Methyl-4-phenyl-1,2,4-triazol-3(2H)-one
2,4,6-TRIMETHYLDIBENZOTHIOPHENE
5-Methyl-4-phenyl-2,4-dihydro-[1,2,4]triazol-3-on
5-methyl-4-phenyl-2,4-dihydro-[1,2,4]triazol-3-one
4-Phenyl-3-hydroxy-5-methyl-1,2,4-triazol
3-Methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one
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