5-methyl-5-nitrohexan-2-one

Modify Date: 2025-08-25 08:38:42

5-methyl-5-nitrohexan-2-one Structure
5-methyl-5-nitrohexan-2-one structure
Common Name 5-methyl-5-nitrohexan-2-one
CAS Number 4604-49-3 Molecular Weight 159.18300
Density 1.033g/cm3 Boiling Point 248ºC at 760 mmHg
Molecular Formula C7H13NO3 Melting Point N/A
MSDS N/A Flash Point 103.3ºC

 Names

Name 5-methyl-5-nitrohexan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.033g/cm3
Boiling Point 248ºC at 760 mmHg
Molecular Formula C7H13NO3
Molecular Weight 159.18300
Flash Point 103.3ºC
Exact Mass 159.09000
PSA 62.89000
LogP 1.93410
Index of Refraction 1.438
InChIKey QWHNMIXUSPUHGO-UHFFFAOYSA-N
SMILES CC(=O)CCC(C)(C)[N+](=O)[O-]

 Safety Information

HS Code 2914700090

 Synthetic Route

~10%

5-methyl-5-nitrohexan-2-one Structure

5-methyl-5-nitr...

CAS#:4604-49-3

Literature: Kisanga, Philip B.; Ilankumaran, Palanichamy; Fetterly, Brandon M.; Verkade, John G. Journal of Organic Chemistry, 2002 , vol. 67, # 11 p. 3555 - 3560

~0%

5-methyl-5-nitrohexan-2-one Structure

5-methyl-5-nitr...

CAS#:4604-49-3

Literature: Aleksandrowicz, Piotr; Piotrowska, Hanna; Sas, Wojciech Tetrahedron, 1982 , vol. 38, # 9 p. 1321 - 1327

~0%

5-methyl-5-nitrohexan-2-one Structure

5-methyl-5-nitr...

CAS#:4604-49-3

Literature: Aleksandrowicz, Piotr; Piotrowska, Hanna; Sas, Wojciech Tetrahedron, 1982 , vol. 38, # 9 p. 1321 - 1327

~0%

5-methyl-5-nitrohexan-2-one Structure

5-methyl-5-nitr...

CAS#:4604-49-3

Literature: Aleksandrowicz, Piotr; Piotrowska, Hanna; Sas, Wojciech Tetrahedron, 1982 , vol. 38, # 9 p. 1321 - 1327

~0%

5-methyl-5-nitrohexan-2-one Structure

5-methyl-5-nitr...

CAS#:4604-49-3

Literature: Aleksandrowicz, Piotr; Piotrowska, Hanna; Sas, Wojciech Tetrahedron, 1982 , vol. 38, # 9 p. 1321 - 1327

~%

5-methyl-5-nitrohexan-2-one Structure

5-methyl-5-nitr...

CAS#:4604-49-3

Literature: Gill et al. Journal of the American Chemical Society, 1952 , vol. 74, p. 4923,4927

~%

5-methyl-5-nitrohexan-2-one Structure

5-methyl-5-nitr...

CAS#:4604-49-3

Literature: Feuer,H.; Miller,R. Journal of Organic Chemistry, 1961 , vol. 26, p. 1348 - 1357

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Synonyms

5-methyl-5-nitrohexane-2-one
5-methyl-5-nitro-2-hexanone
5-Methyl-5-nitro-hexan-2-one
2-Methyl-2-nitrohexan-5-one
3-Methyl-3-nitrobutyl-methylketon
EINECS 225-006-2
2-Hexanone,5-methyl-5-nitro
5-Methyl-5-nitro-hexan-2-on
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