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2612-57-9,MFCD00002001
Catalog No.:AA002RP4

2612-57-9 | 2,4-Dichlorophenyl isocyanate

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1g
98%
in stock  
$15.00   $11.00
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5g
98%
in stock  
$47.00   $33.00
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25g
98%
in stock  
$145.00   $102.00
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100g
98%
in stock  
$411.00   $288.00
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500g
98%
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$1,308.00   $916.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002RP4
Chemical Name:
2,4-Dichlorophenyl isocyanate
CAS Number:
2612-57-9
Molecular Formula:
C7H3Cl2NO
Molecular Weight:
188.0108
MDL Number:
MFCD00002001
SMILES:
O=C=Nc1ccc(cc1Cl)Cl
Properties
Properties
 
BP:
80°C 1mm  
Form:
Solid  
MP:
59-60 °C  
Refractive Index:
1.5500 (estimate)  
Stability:
Moisture Sensitive  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
4  

Downstream Synthesis Route

[1]Takami,Atsuya;Iwakubo,Masayuki;Okada,Yuji;Kawata,Takehisa;Odai,Hideharu;Takahashi,Nobuaki;Shindo,Kazutoshi;Kimura,Kaname;Tagami,Yoshimichi;Miyake,Mika;Fukushima,Kayoko;Inagaki,Masaki;Amano,Mutsuki;Kaibuchi,Kozo;Iijima,Hiroshi[BioorganicandMedicinalChemistry,2004,vol.12,#9,p.2115-2137]

[2]Pavia;Lobbestael;Taylor;Hershenson;Miskell[JournalofMedicinalChemistry,1990,vol.33,#2,p.854-861]

[3]CurrentPatentAssignee:KyowaKirin(in:KirinHoldings);KIRINHOLDINGSCO.,LTD.-EP1256574,2002,A1

[1]Klochkova,I.N.;Noritsina,M.V.;Kulikova,L.K.;Krasheninnikova,M.K.;Kharchenko,V.G.[PharmaceuticalChemistryJournal,1987,vol.21,#6,p.435-438][Khimiko-FarmatsevticheskiiZhurnal,1987,vol.21,#6,p.696-699]

[1]JournalofMedicinalChemistry,1989,vol.32,p.2352-2357

[1]JournalofHeterocyclicChemistry,1982,vol.19,p.1389-1392

[1]Breitenstein,W.;Maerki,F.;Roggo,S.;Wiesenberg,I;Pfeilschifter,J.;etal.[EuropeanJournalofMedicinalChemistry,1994,vol.29,#9,p.649-658]

[2]Shan,Yuanyuan;Gao,Hongping;Shao,Xiaowei;Wang,Jinfeng;Pan,Xiaoyan;Zhang,Jie[EuropeanJournalofMedicinalChemistry,2015,vol.103,p.80-90]

[3]Qin,Mingze;Yan,Shuang;Wang,Lei;Zhang,Haotian;Zhao,Yanfang;Wu,Shasha;Wu,Di;Gong,Ping[EuropeanJournalofMedicinalChemistry,2016,vol.115,p.1-13]

[4]Sun,Ying;Shan,Yuanyuan;Li,Chuansheng;Si,Ru;Pan,Xiaoyan;Wang,Binghe;Zhang,Jie[EuropeanJournalofMedicinalChemistry,2017,vol.141,p.373-385]

[5]Chen,Jia-Nian;Li,Ting;Cheng,Li;Qin,Tai-Sheng;Sun,Ye-Xiang;Chen,Chu-Ting;He,Yue-Zhen;Liu,Guang;Yao,Di;Wei,Ying;Li,Qiu-Yin;Zhang,Guang-Ji[EuropeanJournalofMedicinalChemistry,2020,vol.205]

[6]Chen,Chu-Ting;Chen,Jia-Nian;Chen,Qi;Cheng,Li;He,Yue-Zhen;Qin,Tai-Sheng;Sun,Ye-Xiang;Wei,Ying;Yang,Chao;Yang,Kang-Jian[2021,vol.13,#3,p.350]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
Tags:2612-57-9 Molecular Formula|2612-57-9 MDL|2612-57-9 SMILES|2612-57-9 2,4-Dichlorophenyl isocyanate |Organic_Building_Blocks