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15845-62-2,MFCD00013875
Catalog No.:AA001Q55

15845-62-2 | Benzene, 1-iodo-4-isocyanato-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$24.00   $17.00
- +
1g
95%
in stock  
$43.00   $30.00
- +
5g
95%
in stock  
$166.00   $116.00
- +
25g
95%
in stock  
$577.00   $404.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001Q55
Chemical Name:
Benzene, 1-iodo-4-isocyanato-
CAS Number:
15845-62-2
Molecular Formula:
C7H4INO
Molecular Weight:
245.0172
MDL Number:
MFCD00013875
SMILES:
O=C=Nc1ccc(cc1)I
Properties
Properties
 
Storage:
2-8℃;Light sensitive;Inert atmosphere;  

Computed Properties
 
Complexity:
146  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.6  

Downstream Synthesis Route

[1]Liu,Dazhi;Tian,Zhen;Yan,Zhihui;Wu,Lixin;Ma,Yan;Wang,Quan;Liu,Wei;Zhou,Honggang;Yang,Cheng[BioorganicandMedicinalChemistry,2013,vol.21,#11,p.2960-2967]

[2]Charalambides,YiannisC.;Moratti,StephenC.[SyntheticCommunications,2007,vol.37,#6,p.1037-1044]

[3]Geng,Xiaoyu;Wang,Congyang[OrganicandBiomolecularChemistry,2015,vol.13,#28,p.7619-7623]

[4]Hasan,Riaz;Nishimura,Keiichiro;Ueno,Tamio[PesticideScience,1994,vol.42,#4,p.291-298]

[5]Rose,TristanE.;Morisseau,Christophe;Liu,Jun-Yan;Inceoglu,Bora;Jones,PaulD.;Sanborn,JamesR.;Hammock,BruceD.[JournalofMedicinalChemistry,2010,vol.53,#19,p.7067-7075]

[6]Hou,Zhong-Wei;Mao,Zhong-Yi;Zhao,Huai-Bo;Melcamu,YaredYohannes;Lu,Xin;Song,Jinshuai;Xu,Hai-Chao[AngewandteChemie-InternationalEdition,2016,vol.55,#32,p.9168-9172][Angew.Chem.,2016,vol.128,#32,p.9314-9318]

[7]Hou,Zhong-Wei;Xu,Hai-Chao[ChineseJournalofChemistry,2020,vol.38,#4,p.394-398]

[8]Ruan,Banfeng;Zhang,Yuezhou;Tadesse,Solomon;Preston,Sarah;Taki,AyaC.;Jabbar,Abdul;Hofmann,Andreas;Jiao,Yaqing;Garcia-Bustos,Jose;Harjani,Jitendra;Le,ThuyGiang;Varghese,Swapna;Teguh,Silvia;Xie,Yiyue;Odiba,Jephthah;Hu,Min;Gasser,RobinB.;Baell,Jonathan[EuropeanJournalofMedicinalChemistry,2020,vol.190]

[9]Ashraf-Uz-Zaman,Md;Shahi,Sadisna;Akwii,Racheal;Sajib,MdSanaullah;Farshbaf,MohammadJodeiri;Kallem,RajaReddy;Putnam,William;Wang,Wei;Zhang,Ruiwen;Alvina,Karina;Trippier,PaulC.;Mikelis,ConstantinosM.;German,NadezhdaA.[EuropeanJournalofMedicinalChemistry,2021,vol.209]

[10]Abdelazeem,AhmedH.;Cao,Yaquan;Frejat,FirasO.A.;Gomaa,HeshamA.M.;Wang,Lihong;Wu,Chunli;Youssif,BahaaG.M.;Zhai,Hongjin[ArchivderPharmazie,2022]

15845-62-2    5746-86-1   
N-(4-iodophenyl)-2-(3-pyridyl)pyrrolidine-1-carboxamide 

[1]JournaloftheChemicalSociety.PerkinTransactions1(2001),2002,vol.2,p.143-154

[1]Locationinpatent:experimentalpartChen,Wei;Seefeldt,Teresa;Young,Alan;Zhang,Xiaoying;Guan,Xiangming[BioorganicandMedicinalChemistry,2011,vol.19,#1,p.287-294]

27692-74-6    15845-62-2   
1-(4-iodophenyl)-3-4-(pyridin-4-ylmethyl)phenylurea 

[1]MedicinalChemistry,2013,vol.9,p.213-221

499-75-2    15845-62-2   
5-isopropyl-2-methylphenyl(4-iodophenyl)carbamate 

[1]Kurt,BelmaZengin;Gazioglu,Isil;Dag,Aydan;Salmas,RaminEkhteiari;Kayık,Gülru;Durdagi,Serdar;Sonmez,Fatih[BioorganicandMedicinalChemistry,2017,vol.25,#4,p.1352-1363]

Literature

Title: Averagine-scaling analysis and fragment ion mass defect labeling in peptide mass spectrometry.

Journal: Analytical chemistry 20081001

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Tags:15845-62-2 Molecular Formula|15845-62-2 MDL|15845-62-2 SMILES|15845-62-2 Benzene, 1-iodo-4-isocyanato-
Catalog No.: AA001Q55
15845-62-2,MFCD00013875
15845-62-2 | Benzene, 1-iodo-4-isocyanato-
Pack Size： 250mg
Purity： 95%
in stock
$24.00 $17.00
Pack Size： 1g
Purity： 95%
in stock
$43.00 $30.00
Pack Size： 5g
Purity： 95%
in stock
$166.00 $116.00
Pack Size： 25g
Purity： 95%
in stock
$577.00 $404.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001Q55
Chemical Name: Benzene, 1-iodo-4-isocyanato-
CAS Number: 15845-62-2
Molecular Formula: C7H4INO
Molecular Weight: 245.0172
MDL Number: MFCD00013875
SMILES: O=C=Nc1ccc(cc1)I
Properties
Storage: 2-8℃;Light sensitive;Inert atmosphere;  
Complexity: 146  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.6  
Downstream Synthesis Route
32315-10-9    540-37-4    15845-62-2 

[1]Liu,Dazhi;Tian,Zhen;Yan,Zhihui;Wu,Lixin;Ma,Yan;Wang,Quan;Liu,Wei;Zhou,Honggang;Yang,Cheng[BioorganicandMedicinalChemistry,2013,vol.21,#11,p.2960-2967]

[2]Charalambides,YiannisC.;Moratti,StephenC.[SyntheticCommunications,2007,vol.37,#6,p.1037-1044]

[3]Geng,Xiaoyu;Wang,Congyang[OrganicandBiomolecularChemistry,2015,vol.13,#28,p.7619-7623]

[4]Hasan,Riaz;Nishimura,Keiichiro;Ueno,Tamio[PesticideScience,1994,vol.42,#4,p.291-298]

[5]Rose,TristanE.;Morisseau,Christophe;Liu,Jun-Yan;Inceoglu,Bora;Jones,PaulD.;Sanborn,JamesR.;Hammock,BruceD.[JournalofMedicinalChemistry,2010,vol.53,#19,p.7067-7075]

[6]Hou,Zhong-Wei;Mao,Zhong-Yi;Zhao,Huai-Bo;Melcamu,YaredYohannes;Lu,Xin;Song,Jinshuai;Xu,Hai-Chao[AngewandteChemie-InternationalEdition,2016,vol.55,#32,p.9168-9172][Angew.Chem.,2016,vol.128,#32,p.9314-9318]

[7]Hou,Zhong-Wei;Xu,Hai-Chao[ChineseJournalofChemistry,2020,vol.38,#4,p.394-398]

[8]Ruan,Banfeng;Zhang,Yuezhou;Tadesse,Solomon;Preston,Sarah;Taki,AyaC.;Jabbar,Abdul;Hofmann,Andreas;Jiao,Yaqing;Garcia-Bustos,Jose;Harjani,Jitendra;Le,ThuyGiang;Varghese,Swapna;Teguh,Silvia;Xie,Yiyue;Odiba,Jephthah;Hu,Min;Gasser,RobinB.;Baell,Jonathan[EuropeanJournalofMedicinalChemistry,2020,vol.190]

[9]Ashraf-Uz-Zaman,Md;Shahi,Sadisna;Akwii,Racheal;Sajib,MdSanaullah;Farshbaf,MohammadJodeiri;Kallem,RajaReddy;Putnam,William;Wang,Wei;Zhang,Ruiwen;Alvina,Karina;Trippier,PaulC.;Mikelis,ConstantinosM.;German,NadezhdaA.[EuropeanJournalofMedicinalChemistry,2021,vol.209]

[10]Abdelazeem,AhmedH.;Cao,Yaquan;Frejat,FirasO.A.;Gomaa,HeshamA.M.;Wang,Lihong;Wu,Chunli;Youssif,BahaaG.M.;Zhai,Hongjin[ArchivderPharmazie,2022]

15845-62-2    5746-86-1   
N-(4-iodophenyl)-2-(3-pyridyl)pyrrolidine-1-carboxamide 

[1]JournaloftheChemicalSociety.PerkinTransactions1(2001),2002,vol.2,p.143-154

616-91-1    15845-62-2    1262526-90-8 

[1]Locationinpatent:experimentalpartChen,Wei;Seefeldt,Teresa;Young,Alan;Zhang,Xiaoying;Guan,Xiangming[BioorganicandMedicinalChemistry,2011,vol.19,#1,p.287-294]

27692-74-6    15845-62-2   
1-(4-iodophenyl)-3-4-(pyridin-4-ylmethyl)phenylurea 

[1]MedicinalChemistry,2013,vol.9,p.213-221

499-75-2    15845-62-2   
5-isopropyl-2-methylphenyl(4-iodophenyl)carbamate 

[1]Kurt,BelmaZengin;Gazioglu,Isil;Dag,Aydan;Salmas,RaminEkhteiari;Kayık,Gülru;Durdagi,Serdar;Sonmez,Fatih[BioorganicandMedicinalChemistry,2017,vol.25,#4,p.1352-1363]

Literature fold

Title: Averagine-scaling analysis and fragment ion mass defect labeling in peptide mass spectrometry.

Journal: Analytical chemistry20081001

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Historical Records
71800-36-7
71800-36-7
610759-59-6
610759-59-6
1448034-42-1
1448034-42-1
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