942-92-7,MFCD00009512
Catalog No.:AA003QU5

942-92-7 | Hexanophenone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$21.00   $15.00
- +
25g
98%
in stock  
$54.00   $38.00
- +
100g
98%
in stock  
$92.00   $64.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QU5
Chemical Name:
Hexanophenone
CAS Number:
942-92-7
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00009512
SMILES:
CCCCCC(=O)c1ccccc1
NSC Number:
8480
Properties
Properties
 
BP:
265°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Upstream Synthesis Route

[1]ChemistryLetters,1997,#11,p.1149-1150

[1]MolecularCrystalsandLiquidCrystals,2009,vol.509,#1,p.283-291

Downstream Synthesis Route

[1]JournaloftheAmericanPharmaceuticalAssociation(1912),1957,vol.46,p.542,544

[1]Newman,StephenG.;Gu,Lei;Lesniak,Christoph;Victor,Georg;Meschke,Frank;Abahmane,Lahbib;Jensen,KlavsF.[GreenChemistry,2014,vol.16,#1,p.176-180]

[2]Locationinpatent:experimentalpartZuidema,DanielR.;Williams,SarahL.;Wert,KatherineJ.;Bosma,KarinJ.;Smith,AbigailL.;Mebane,RobertC.[SyntheticCommunications,2011,vol.41,#19,p.2927-2931]

[3]Bhattacharya,Santanu;Subramanian,Marappan[TetrahedronLetters,2002,vol.43,#23,p.4203-4206]

[4]CurrentPatentAssignee:HEFEIYIGONGMEDICINE;CHINAPHARMACEUTICALUNIVERSITY;NANJINGMEDICALINDUSTRYMEDICALTECHNOLOGY-CN103408501,2016,BLocationinpatent:Paragraph0088;0089

[5]Ju;Shen;Wood[JournaloftheInstituteofPetroleum,1940,vol.26,p.514,515]

[6]Ipatieff;Haensel[JournaloftheAmericanChemicalSociety,1942,vol.64,p.520]

[7]CurrentPatentAssignee:HONEYWELLINTERNATIONALINC;UOP(in:Honeywell)-US2334100,1940,A

[8]Sabatier;Mailhe[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1914,vol.158,p.833]

[9]Locationinpatent:schemeortableZygadlo;Dardas;Nowicka;Hofmann;Galewski[MolecularCrystalsandLiquidCrystals,2009,vol.509,#1,p.283-291]

[10]Gao,Zhuyan;Han,Jianyu;Hong,Feng;Lei,Lijun;Li,Hongji;Liu,Huifang;Luo,Nengchao;Wang,Feng[GreenChemistry,2020,vol.22,#12,p.3802-3808]

[1]Locationinpatent:experimentalpartInagaki,Tomohiko;Yamada,Yoko;Le,ThanhPhong;Furuta,Akihiro;Ito,Jun-Ichi;Nishiyama,Hisao[Synlett,2009,#2,p.253-256]

[2]Nishiyama,Hisao;Furuta,Akihiro[ChemicalCommunications,2007,#7,p.760-762]

[3]Furuta,Akihiro;Nishiyama,Hisao[TetrahedronLetters,2008,vol.49,#1,p.110-113]

[4]Hoang,HaiNam;Matsuda,Tomoko[Tetrahedron,2016,vol.72,#46,p.7229-7234]

[5]Ema,Tadashi;Kamata,Shusuke;Takeda,Masahiro;Nakano,Yasuko;Sakai,Takashi[ChemicalCommunications,2010,vol.46,#30,p.5440-5442]

[6]Schiltz,Pauline;Casaretto,Nicolas;Auffrant,Audrey;Gosmini,Corinne[Chemistry-AEuropeanJournal,2022,vol.28,#32]

[7]Cao,Dawei;Xia,Shumei;Pan,Pan;Zeng,Huiying;Li,Chao-Jun;Peng,Yong[GreenChemistry,2021,vol.23,#19,p.7539-7543]

[8]Cox;Adkins[JournaloftheAmericanChemicalSociety,1939,vol.61,p.3364,3369]

[9]Cox;Adkins[JournaloftheAmericanChemicalSociety,1939,vol.61,p.3364,3369]

[10]Protivaetal.[CollectionofCzechoslovakChemicalCommunications,1953,vol.18,p.86,98]

[11]Ipatieff;Haensel[JournaloftheAmericanChemicalSociety,1942,vol.64,p.520]

[12]Tewari,YaduB.;Kishore,Nand;Rozzell,J.David;Vanderah,DavidJ.;Schantz,MicheleM.[JournalofChemicalThermodynamics,2006,vol.38,#10,p.1165-1171]

[13]Tewari,YaduB.;Kishore,Nand;Rozzell,J.David;Vanderah,DavidJ.;Schantz,MicheleM.[JournalofChemicalThermodynamics,2006,vol.38,#10,p.1165-1171]

[14]Locationinpatent:experimentalpartVallin,Michaela;Syren,Per-Olof;Hult,Karl[ChemBioChem,2010,vol.11,#3,p.411-416]

[15]Darwish,MoftahO.;Wallace,Alistair;Clarkson,GuyJ.;Wills,Martin[TetrahedronLetters,2013,vol.54,#32,p.4250-4253]

[16]Rösler,Sina;Obenauf,Johannes;Kempe,Rhett[JournaloftheAmericanChemicalSociety,2015,vol.137,#25,p.7998-8001]

[17]Ibáñez,Susana;Poyatos,Macarena;Peris,Eduardo[ChemCatChem,2016,vol.8,#24,p.3790-3795]

[18]Liu,Sensheng;Liu,Huan;Zhou,Haifeng;Liu,Qixing;Lv,Jinliang[OrganicLetters,2018,vol.20,#4,p.1110-1113]

[19]Ganguli,Kasturi;Mandal,Adarsha;Sarkar,Bidisha;Kundu,Sabuj[Tetrahedron,2020,vol.76,#37]

[20]Chen,Hong-Wei;Lu,Fu-Dong;Cheng,Ying;Jia,Yue;Lu,Liang-Qiu;Xiao,Wen-Jing[ChineseJournalofChemistry,2020,vol.38,#12,p.1671-1675]

[21]Chang,Xiao-Yong;Chen,Ji-Jun;Gu,Qiang-Shuai;Jiang,Sheng-Peng;Li,Zhong-Liang;Liu,Lin;Liu,Xiao-Dong;Liu,Xin-Yuan;Su,Xiao-Long;Wang,Fu-Li;Yang,Chang-Jiang;Ye,Liu[AngewandteChemie-InternationalEdition,2021,vol.60,#1,p.380-384][Angew.Chem.,2021,vol.133,#1,p.384-388,5]

[22]Hori,Momoko;Ishikawa,Ryuta;Koga,Yuji;Matsubara,Kouki;Mitsuyama,Tomoaki;Shin,Sayaka[Organometallics,2021,vol.40,#9,p.1379-1387]

[1]Zhang,Xiao;Rovis,Tomislav[JournaloftheAmericanChemicalSociety,2021,vol.143,#50,p.21211-21217]

[2]Ju;Shen;Wood[JournaloftheInstituteofPetroleum,1940,vol.26,p.514,515]

[3]Das,BrajaGopal;Nallagonda,Rajender;Dey,Dhananjay;Ghorai,Prasanta[Chemistry-AEuropeanJournal,2015,vol.21,#36,p.12601-12605]

[4]Ramaraju,Andhavaram;Chouhan,NeerajKumar;Ravi,Owk;Sridhar,Balasubramanian;Bathula,SurendarReddy[EuropeanJournalofOrganicChemistry,2018,vol.2018,#23,p.2963-2971]

[5]Upare,Atul;Chouhan,NeerajKumar;Ramaraju,Andhavaram;Sridhar,Balasubramanian;Bathula,SurendarReddy[OrganicandBiomolecularChemistry,2020,vol.18,#9,p.1743-1746]

[6]Dai,Hui-Xiong;Li,Hanyuan;Li,Ling-Jun;Liu,Qi-Sheng;Ma,Biao;Wang,Mei-Ling;Wang,Xing;Wang,Zhen-Yu;Xu,Hui[AngewandteChemie-InternationalEdition,2020,vol.59,#34,p.14388-14393][Angew.Chem.,2020,vol.132,#34,p.14494-14499,6]

[7]Wang,Zhen-Yu;Ma,Biao;Xu,Hui;Wang,Xing;Zhang,Xu;Dai,Hui-Xiong[OrganicLetters,2021,vol.23,#21,p.8291-8295]

[1]Lutzetal.[JournalofOrganicChemistry,1947,vol.12,p.617,680]

[2]Boswell,G.Evan;Musso,DavidL.;Kelley,JamesL.;Soroko,FrancisE.;Cooper,BarretR.[JournalofHeterocyclicChemistry,1996,vol.33,#1,p.33-40]

[3]deMello-Sampayo,Cristina;Vaz,AnaRita;Henriques,SaraC.;Fernandes,Adelaide;Paradinha,Fabiana;Florindo,Pedro;Faria,Paulo;Moreira,Rui;Brites,Dora;Lopes,Alvaro[NeurotoxicityResearch,2021,vol.39,#2,p.392-412]

[4]CurrentPatentAssignee:MERCERUNIVERSITY-US2022/56029,2022,A1

[5]CurrentPatentAssignee:MERCERUNIVERSITY-US2022/56029,2022,A1Locationinpatent:Paragraph0092;0096;0097-0099

[6]CurrentPatentAssignee:MERCERUNIVERSITY-US2022/56029,2022,A1Locationinpatent:Paragraph0092;0096;0097-0099

[7]CurrentPatentAssignee:MERCERUNIVERSITY-US2022/56029,2022,A1Locationinpatent:Paragraph0092;0096;0097-0099

Literature

Title: Synthesis of nitrogen-rich mesoporous carbon nitride with tunable pores, band gaps and nitrogen content from a single aminoguanidine precursor.

Journal: ChemSusChem 20120401

Title: An extraction technique for analytical sample preparation in aqueous solution based on controlling dispersion of ionic surfactant assemblies in isotachophoretic migration.

Journal: Journal of chromatography. A 20110107

Title: Inhibition of carbonyl reductase activity in pig heart by alkyl phenyl ketones.

Journal: Journal of enzyme inhibition and medicinal chemistry 20070201

Title: Is it possible to estimate the enantioselectivity of a chiral catalyst from its racemic mixture?

Journal: Journal of the American Chemical Society 20030625

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SDS
Tags:942-92-7 Molecular Formula|942-92-7 MDL|942-92-7 SMILES|942-92-7 Hexanophenone
Catalog No.: AA003QU5
942-92-7,MFCD00009512
942-92-7 | Hexanophenone
Pack Size: 5g
Purity: 98%
in stock
$21.00 $15.00
Pack Size: 25g
Purity: 98%
in stock
$54.00 $38.00
Pack Size: 100g
Purity: 98%
in stock
$92.00 $64.00
Quantity
- +
Add to Card
Order Now
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Technical Information
Catalog Number: AA003QU5
Chemical Name: Hexanophenone
CAS Number: 942-92-7
Molecular Formula: C12H16O
Molecular Weight: 176.2548
MDL Number: MFCD00009512
SMILES: CCCCCC(=O)c1ccccc1
NSC Number: 8480
Properties
BP: 265°C at 760 mmHg  
Form: Solid  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 145  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Upstream Synthesis Route
3481-02-5    557-20-0    942-92-7    5558-04-3 

[1]ChemistryLetters,1997,#11,p.1149-1150

942-92-7    33228-45-4 

[1]MolecularCrystalsandLiquidCrystals,2009,vol.509,#1,p.283-291

Downstream Synthesis Route
50-00-0    942-92-7    6091-44-7    101888-02-2 

[1]JournaloftheAmericanPharmaceuticalAssociation(1912),1957,vol.46,p.542,544

942-92-7    1077-16-3 

[1]Newman,StephenG.;Gu,Lei;Lesniak,Christoph;Victor,Georg;Meschke,Frank;Abahmane,Lahbib;Jensen,KlavsF.[GreenChemistry,2014,vol.16,#1,p.176-180]

[2]Locationinpatent:experimentalpartZuidema,DanielR.;Williams,SarahL.;Wert,KatherineJ.;Bosma,KarinJ.;Smith,AbigailL.;Mebane,RobertC.[SyntheticCommunications,2011,vol.41,#19,p.2927-2931]

[3]Bhattacharya,Santanu;Subramanian,Marappan[TetrahedronLetters,2002,vol.43,#23,p.4203-4206]

[4]CurrentPatentAssignee:HEFEIYIGONGMEDICINE;CHINAPHARMACEUTICALUNIVERSITY;NANJINGMEDICALINDUSTRYMEDICALTECHNOLOGY-CN103408501,2016,BLocationinpatent:Paragraph0088;0089

[5]Ju;Shen;Wood[JournaloftheInstituteofPetroleum,1940,vol.26,p.514,515]

[6]Ipatieff;Haensel[JournaloftheAmericanChemicalSociety,1942,vol.64,p.520]

[7]CurrentPatentAssignee:HONEYWELLINTERNATIONALINC;UOP(in:Honeywell)-US2334100,1940,A

[8]Sabatier;Mailhe[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1914,vol.158,p.833]

[9]Locationinpatent:schemeortableZygadlo;Dardas;Nowicka;Hofmann;Galewski[MolecularCrystalsandLiquidCrystals,2009,vol.509,#1,p.283-291]

[10]Gao,Zhuyan;Han,Jianyu;Hong,Feng;Lei,Lijun;Li,Hongji;Liu,Huifang;Luo,Nengchao;Wang,Feng[GreenChemistry,2020,vol.22,#12,p.3802-3808]

942-92-7    4471-05-0 

[1]Locationinpatent:experimentalpartInagaki,Tomohiko;Yamada,Yoko;Le,ThanhPhong;Furuta,Akihiro;Ito,Jun-Ichi;Nishiyama,Hisao[Synlett,2009,#2,p.253-256]

[2]Nishiyama,Hisao;Furuta,Akihiro[ChemicalCommunications,2007,#7,p.760-762]

[3]Furuta,Akihiro;Nishiyama,Hisao[TetrahedronLetters,2008,vol.49,#1,p.110-113]

[4]Hoang,HaiNam;Matsuda,Tomoko[Tetrahedron,2016,vol.72,#46,p.7229-7234]

[5]Ema,Tadashi;Kamata,Shusuke;Takeda,Masahiro;Nakano,Yasuko;Sakai,Takashi[ChemicalCommunications,2010,vol.46,#30,p.5440-5442]

[6]Schiltz,Pauline;Casaretto,Nicolas;Auffrant,Audrey;Gosmini,Corinne[Chemistry-AEuropeanJournal,2022,vol.28,#32]

[7]Cao,Dawei;Xia,Shumei;Pan,Pan;Zeng,Huiying;Li,Chao-Jun;Peng,Yong[GreenChemistry,2021,vol.23,#19,p.7539-7543]

[8]Cox;Adkins[JournaloftheAmericanChemicalSociety,1939,vol.61,p.3364,3369]

[9]Cox;Adkins[JournaloftheAmericanChemicalSociety,1939,vol.61,p.3364,3369]

[10]Protivaetal.[CollectionofCzechoslovakChemicalCommunications,1953,vol.18,p.86,98]

[11]Ipatieff;Haensel[JournaloftheAmericanChemicalSociety,1942,vol.64,p.520]

[12]Tewari,YaduB.;Kishore,Nand;Rozzell,J.David;Vanderah,DavidJ.;Schantz,MicheleM.[JournalofChemicalThermodynamics,2006,vol.38,#10,p.1165-1171]

[13]Tewari,YaduB.;Kishore,Nand;Rozzell,J.David;Vanderah,DavidJ.;Schantz,MicheleM.[JournalofChemicalThermodynamics,2006,vol.38,#10,p.1165-1171]

[14]Locationinpatent:experimentalpartVallin,Michaela;Syren,Per-Olof;Hult,Karl[ChemBioChem,2010,vol.11,#3,p.411-416]

[15]Darwish,MoftahO.;Wallace,Alistair;Clarkson,GuyJ.;Wills,Martin[TetrahedronLetters,2013,vol.54,#32,p.4250-4253]

[16]Rösler,Sina;Obenauf,Johannes;Kempe,Rhett[JournaloftheAmericanChemicalSociety,2015,vol.137,#25,p.7998-8001]

[17]Ibáñez,Susana;Poyatos,Macarena;Peris,Eduardo[ChemCatChem,2016,vol.8,#24,p.3790-3795]

[18]Liu,Sensheng;Liu,Huan;Zhou,Haifeng;Liu,Qixing;Lv,Jinliang[OrganicLetters,2018,vol.20,#4,p.1110-1113]

[19]Ganguli,Kasturi;Mandal,Adarsha;Sarkar,Bidisha;Kundu,Sabuj[Tetrahedron,2020,vol.76,#37]

[20]Chen,Hong-Wei;Lu,Fu-Dong;Cheng,Ying;Jia,Yue;Lu,Liang-Qiu;Xiao,Wen-Jing[ChineseJournalofChemistry,2020,vol.38,#12,p.1671-1675]

[21]Chang,Xiao-Yong;Chen,Ji-Jun;Gu,Qiang-Shuai;Jiang,Sheng-Peng;Li,Zhong-Liang;Liu,Lin;Liu,Xiao-Dong;Liu,Xin-Yuan;Su,Xiao-Long;Wang,Fu-Li;Yang,Chang-Jiang;Ye,Liu[AngewandteChemie-InternationalEdition,2021,vol.60,#1,p.380-384][Angew.Chem.,2021,vol.133,#1,p.384-388,5]

[22]Hori,Momoko;Ishikawa,Ryuta;Koga,Yuji;Matsubara,Kouki;Mitsuyama,Tomoaki;Shin,Sayaka[Organometallics,2021,vol.40,#9,p.1379-1387]

942-92-7    69060-56-6 

[1]Zhang,Xiao;Rovis,Tomislav[JournaloftheAmericanChemicalSociety,2021,vol.143,#50,p.21211-21217]

[2]Ju;Shen;Wood[JournaloftheInstituteofPetroleum,1940,vol.26,p.514,515]

[3]Das,BrajaGopal;Nallagonda,Rajender;Dey,Dhananjay;Ghorai,Prasanta[Chemistry-AEuropeanJournal,2015,vol.21,#36,p.12601-12605]

[4]Ramaraju,Andhavaram;Chouhan,NeerajKumar;Ravi,Owk;Sridhar,Balasubramanian;Bathula,SurendarReddy[EuropeanJournalofOrganicChemistry,2018,vol.2018,#23,p.2963-2971]

[5]Upare,Atul;Chouhan,NeerajKumar;Ramaraju,Andhavaram;Sridhar,Balasubramanian;Bathula,SurendarReddy[OrganicandBiomolecularChemistry,2020,vol.18,#9,p.1743-1746]

[6]Dai,Hui-Xiong;Li,Hanyuan;Li,Ling-Jun;Liu,Qi-Sheng;Ma,Biao;Wang,Mei-Ling;Wang,Xing;Wang,Zhen-Yu;Xu,Hui[AngewandteChemie-InternationalEdition,2020,vol.59,#34,p.14388-14393][Angew.Chem.,2020,vol.132,#34,p.14494-14499,6]

[7]Wang,Zhen-Yu;Ma,Biao;Xu,Hui;Wang,Xing;Zhang,Xu;Dai,Hui-Xiong[OrganicLetters,2021,vol.23,#21,p.8291-8295]

942-92-7    59774-06-0 

[1]Lutzetal.[JournalofOrganicChemistry,1947,vol.12,p.617,680]

[2]Boswell,G.Evan;Musso,DavidL.;Kelley,JamesL.;Soroko,FrancisE.;Cooper,BarretR.[JournalofHeterocyclicChemistry,1996,vol.33,#1,p.33-40]

[3]deMello-Sampayo,Cristina;Vaz,AnaRita;Henriques,SaraC.;Fernandes,Adelaide;Paradinha,Fabiana;Florindo,Pedro;Faria,Paulo;Moreira,Rui;Brites,Dora;Lopes,Alvaro[NeurotoxicityResearch,2021,vol.39,#2,p.392-412]

[4]CurrentPatentAssignee:MERCERUNIVERSITY-US2022/56029,2022,A1

[5]CurrentPatentAssignee:MERCERUNIVERSITY-US2022/56029,2022,A1Locationinpatent:Paragraph0092;0096;0097-0099

[6]CurrentPatentAssignee:MERCERUNIVERSITY-US2022/56029,2022,A1Locationinpatent:Paragraph0092;0096;0097-0099

[7]CurrentPatentAssignee:MERCERUNIVERSITY-US2022/56029,2022,A1Locationinpatent:Paragraph0092;0096;0097-0099

Literature fold

Title: Synthesis of nitrogen-rich mesoporous carbon nitride with tunable pores, band gaps and nitrogen content from a single aminoguanidine precursor.

Journal: ChemSusChem20120401

Title: An extraction technique for analytical sample preparation in aqueous solution based on controlling dispersion of ionic surfactant assemblies in isotachophoretic migration.

Journal: Journal of chromatography. A20110107

Title: Inhibition of carbonyl reductase activity in pig heart by alkyl phenyl ketones.

Journal: Journal of enzyme inhibition and medicinal chemistry20070201

Title: Is it possible to estimate the enantioselectivity of a chiral catalyst from its racemic mixture?

Journal: Journal of the American Chemical Society20030625

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