3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Modify Date: 2025-08-24 23:37:43

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one Structure
3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one structure
 Common Name 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
CAS Number 58905-32-1 Molecular Weight 167.20800
Density 1.09g/cm3 Boiling Point 283.3ºC at 760 mmHg
Molecular Formula C8H13N3O Melting Point 62-64 °C
MSDS N/A Flash Point N/A

 Names

Name 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.09g/cm3
Boiling Point 283.3ºC at 760 mmHg
Melting Point 62-64 °C
Molecular Formula C8H13N3O
Molecular Weight 167.20800
Exact Mass 167.10600
PSA 47.78000
LogP 0.89330
Index of Refraction 1.536
Storage condition 2-8°C

 Safety Information

HS Code 2933990090

 Synthetic Route

4-amino-1-(3,3-dimethyl-2-oxobutyl)-4H-1,2,4-triazol-1-ium bromide structure

4-amino-1-(3,3-...

CAS#:118227-31-9

~84%

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one Structure

3,3-Dimethyl-1-...

CAS#:58905-32-1

Literature: Astleford, Bret A.; Goe, Gerald L.; Keay, James G.; Scriven, Eric F. V. Journal of Organic Chemistry, 1989 , vol. 54, # 3 p. 731 - 732
1,2,4-Triazole structure

1,2,4-Triazole

CAS#:288-88-0

1-Chloropinacolone structure

1-Chloropinacolone

CAS#:13547-70-1

~%

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one Structure

3,3-Dimethyl-1-...

CAS#:58905-32-1

Literature: US4396624 A1, ;
1,2,4-Triazole structure

1,2,4-Triazole

CAS#:288-88-0

1-Brom-3,3-dimethylbutan-2-on structure

1-Brom-3,3-dime...

CAS#:5469-26-1

~%

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one Structure

3,3-Dimethyl-1-...

CAS#:58905-32-1

Literature: Journal of Medicinal Chemistry, , vol. 30, # 8 p. 1497 - 1502
1,2,4-Triazolylsodium structure

1,2,4-Triazolyl...

CAS#:41253-21-8

1-Brom-3,3-dimethylbutan-2-on structure

1-Brom-3,3-dime...

CAS#:5469-26-1

~66%

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one Structure

3,3-Dimethyl-1-...

CAS#:58905-32-1

Literature: Rentzea, Costin N. Angewandte Chemie, 1986 , vol. 98, # 7 p. 644 - 645
Pinacolone structure

Pinacolone

CAS#:75-97-8

~%

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one Structure

3,3-Dimethyl-1-...

CAS#:58905-32-1

Literature: Journal of Medicinal Chemistry, , vol. 30, # 8 p. 1497 - 1502
1-Chloropinacolone structure

1-Chloropinacolone

CAS#:13547-70-1

~%

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one Structure

3,3-Dimethyl-1-...

CAS#:58905-32-1

Literature: Doklady Chemistry, , vol. 308, # 4-6 p. 299 - 301 Dokl. Akad. Nauk SSSR Ser. Khim., , vol. 308, # 5 p. 1155 - 1158

 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

2,2-dimethyl-4-(1,2,4-triazol-1-yl)-butan-3-one
1,2,4-Triazol-1-ylpinacolin
1-(1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one
1-(1.2.4-Triazol-1-yl)-3.3-dimethylbutan-2-on
1-tert-butyl-2-(1H-1,2,4-triazol-1-yl)ethanone
1,2,4-TRIAZLOE-3,3-DIMETHYL-BUTANONE
3,3-Dimethyl-1-(1,2,4-triazol-1-yl)-2-butanon
3,3-DIMETHYL-1-(1H-1,2,4-TRIAZOLE-1-YL)-2-BUTANONE
3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone
Einecs 261-489-6
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Chemsrc provides CAS#:58905-32-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one>> amp version: 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

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