1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one

Modify Date: 2025-08-27 19:31:05

1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one Structure
1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one structure
 Common Name 1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one
CAS Number 4231-68-9 Molecular Weight 161.161
Density 1.3±0.1 g/cm3 Boiling Point 392.2±25.0 °C at 760 mmHg
Molecular Formula C8H7N3O Melting Point 277-280
MSDS N/A Flash Point 191.0±23.2 °C

 Names

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

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 392.2±25.0 °C at 760 mmHg
Melting Point 277-280
Molecular Formula C8H7N3O
Molecular Weight 161.161
Flash Point 191.0±23.2 °C
Exact Mass 161.058914
PSA 50.94000
LogP 1.45
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.665
InChIKey QCDMYEHBRNFUQG-UHFFFAOYSA-N
SMILES O=c1ncn(-c2ccccc2)[nH]1

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2933990090

 Synthetic Route

Phenylhydrazine structure

Phenylhydrazine

CAS#:100-63-0

~%

1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one Structure

1-Phenyl-1,2-di...

CAS#:4231-68-9

Literature: Hoechst Aktiengesellschaft Patent: US4467098 A1, 1984 ;
1-Carbamoyl-2-phenylhydrazin structure

1-Carbamoyl-2-p...

CAS#:103-03-7

~%

1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one Structure

1-Phenyl-1,2-di...

CAS#:4231-68-9

Literature: Hoechst Aktiengesellschaft Patent: US4467098 A1, 1984 ;
Triethyl orthoformate structure

Triethyl orthof...

CAS#:122-51-0

1-Carbamoyl-2-phenylhydrazin structure

1-Carbamoyl-2-p...

CAS#:103-03-7

~88%

1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one Structure

1-Phenyl-1,2-di...

CAS#:4231-68-9

Literature: Beck, James R.; Babbitt, George E.; Lynch, Michael P. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1467 - 1470
Formic Acid structure

Formic Acid

CAS#:64-18-6

1-Carbamoyl-2-phenylhydrazin structure

1-Carbamoyl-2-p...

CAS#:103-03-7

~%

1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one Structure

1-Phenyl-1,2-di...

CAS#:4231-68-9

Literature: Wan, Kun; Zhou, Cheng-He Bulletin of the Korean Chemical Society, 2010 , vol. 31, # 7 p. 2003 - 2010

 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

3H-1,2,4-Triazol-3-one, 1,2-dihydro-1-phenyl-
EINECS 224-187-5
1-Phenyl-1H-1,2,4-triazol-3-ol
1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one
MFCD00138713
3-Hydroxy-1-phenyl-1,2,4-triazole
1-PHENYL-3-HYDROXYL-1,2,4-TRIAZOLE
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Chemsrc provides CAS#:4231-68-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one>> amp version: 1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one

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