1-(4-nitrophenoxy)propan-2-one

Modify Date: 2025-08-28 21:45:17

1-(4-nitrophenoxy)propan-2-one Structure
1-(4-nitrophenoxy)propan-2-one structure
Common Name 1-(4-nitrophenoxy)propan-2-one
CAS Number 6698-72-2 Molecular Weight 195.17200
Density 1.255g/cm3 Boiling Point 341.8ºC at 760 mmHg
Molecular Formula C9H9NO4 Melting Point N/A
MSDS N/A Flash Point 166.2ºC

 Names

Name 1-(4-nitrophenoxy)propan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.255g/cm3
Boiling Point 341.8ºC at 760 mmHg
Molecular Formula C9H9NO4
Molecular Weight 195.17200
Flash Point 166.2ºC
Exact Mass 195.05300
PSA 72.12000
LogP 2.08580
Index of Refraction 1.54
InChIKey BTPOVNGEGQQHIV-UHFFFAOYSA-N
SMILES CC(=O)COc1ccc([N+](=O)[O-])cc1

 Safety Information

Hazard Codes Xi
HS Code 2914700090

 Synthetic Route

~80%

1-(4-nitrophenoxy)propan-2-one Structure

1-(4-nitropheno...

CAS#:6698-72-2

Literature: Eisai Chemical Co., Ltd. Patent: US5565586 A1, 1996 ;

~71%

1-(4-nitrophenoxy)propan-2-one Structure

1-(4-nitropheno...

CAS#:6698-72-2

Literature: Qu, Zhaohui; Shi, Weifeng; Wang, Jianbo Journal of Organic Chemistry, 2004 , vol. 69, # 1 p. 217 - 219

~%

1-(4-nitrophenoxy)propan-2-one Structure

1-(4-nitropheno...

CAS#:6698-72-2

Literature: Wyrick; Piantadosi Journal of Medicinal Chemistry, 1978 , vol. 21, # 4 p. 386 - 390

~%

1-(4-nitrophenoxy)propan-2-one Structure

1-(4-nitropheno...

CAS#:6698-72-2

Literature: Wyrick; Piantadosi Journal of Medicinal Chemistry, 1978 , vol. 21, # 4 p. 386 - 390

~99%

1-(4-nitrophenoxy)propan-2-one Structure

1-(4-nitropheno...

CAS#:6698-72-2

Literature: Salunkhe, Deepak; Jagdale, Mansingrao; Mane, Ramchandra; Salunkhe, Manikrao Acta Chimica Hungarica, 1987 , vol. 124, # 3 p. 411 - 412

~%

1-(4-nitrophenoxy)propan-2-one Structure

1-(4-nitropheno...

CAS#:6698-72-2

Literature: Tarbell Journal of Organic Chemistry, 1942 , vol. 7, p. 251,257

~%

1-(4-nitrophenoxy)propan-2-one Structure

1-(4-nitropheno...

CAS#:6698-72-2

Literature: Ohta; Sudoh Yakugaku Zasshi, 1950 , vol. 70, p. 305 Chem.Abstr., 1951 , p. 1579

~%

1-(4-nitrophenoxy)propan-2-one Structure

1-(4-nitropheno...

CAS#:6698-72-2

Literature: Prib,O.A.; Yasinskii,I.M. Journal of Organic Chemistry USSR (English Translation), 1971 , vol. 7, p. 342 - 344 Zhurnal Organicheskoi Khimii, 1971 , vol. 7, # 2 p. 348 - 350

~%

1-(4-nitrophenoxy)propan-2-one Structure

1-(4-nitropheno...

CAS#:6698-72-2

Literature: Stoermer; Brockerhof Chemische Berichte, 1897 , vol. 30, p. 1635

 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%

 1-(4-nitrophenoxy)propan-2-oneBioassay

View more

Name: Hypocholesteremic activity in Sprague-Dawley rat assessed as serum cholesterol level ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254902
Name: Hypocholesteremic activity in Sprague-Dawley rat assessed as serum cholesterol level ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254904
Name: Hypocholesteremic activity in Sprague-Dawley rat assessed as serum cholesterol level ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254903
Name: Estrogenic activity in Sprague-Dawley rat at 10 mg/kg/day, po
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254906
Name: Toxicity in Sprague-Dawley rat at 10 mg/kg/day, po
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254905
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 Synonyms

4-nitrobenzyl acetate
4-nitrophenoxyacetone
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