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50529-33-4,MFCD00037037
Catalog No.:AA0033KW

50529-33-4 | 3-Chloro-4-fluorophenyl isocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$23.00   $16.00
- +
100g
98%
in stock  
$2,120.00   $1,484.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033KW
Chemical Name:
3-Chloro-4-fluorophenyl isocyanate
CAS Number:
50529-33-4
Molecular Formula:
C7H3ClFNO
Molecular Weight:
171.5562
MDL Number:
MFCD00037037
SMILES:
O=C=Nc1ccc(c(c1)Cl)F
Properties
Properties
 
BP:
228.7°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.541(lit.)  
Stability:
Moisture Sensitive  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
181  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
3.5  

Downstream Synthesis Route
881890-98-8    50529-33-4   
N-(3-chloro-4-fluorophenyl)-N'-(cis-4-4-(dimethylamino)-5-methylpyridin-2-ylamino}cyclohexyl)ureahydrochloride 

[1]CurrentPatentAssignee:PFIZERINC;TAISHOPHARMACEUTICALHOLDINGSCO.,LTD.-WO2006/35967,2006,A1Locationinpatent:Page/Pagecolumn69-70

[1]MadhukarNalavde;Joshi[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2000,vol.39,#8,p.634-637]

[2]Ni,Shuaishuai;Yuan,Yaxia;Huang,Jin;Mao,Xiaona;Lv,Maosheng;Zhu,Jin;Shen,Xu;Pei,Jianfeng;Lai,Luhua;Jiang,Hualiang;Li,Jian[JournalofMedicinalChemistry,2009,vol.52,#17,p.5295-5298]

[3]Locationinpatent:schemeortableYao,Peng;Zhai,Xin;Liu,Dong;Qi,BaoHui;Tan,HaiLiang;Jin,YongCai;Gong,Ping[ArchivderPharmazie,2010,vol.343,#1,p.17-23]

[4]Zhao,Yan-Fang;Liu,Zi-Jian;Zhai,Xin;Ge,Dan-Dan;Huang,Qiang;Gong,Ping[ChineseChemicalLetters,2013,vol.24,#5,p.386-388]

[5]Rychtarcikova,Zuzana;Kratky,Martin;Gazvoda,Martin;Komloova,Marketa;Polanc,Slovenko;Kocevar,Marijan;Stolarikova,Jirina;Vinsova,Jarmila[Molecules,2014,vol.19,#4,p.3851-3868]

[6]Zhou,Shuguang;Yao,Ting;Yi,Jicheng;Li,Dashuai;Xiong,Jing[JournalofChemicalResearch,2013,vol.37,#5,p.315-319]

[7]Zhong,ShiHua;Fan,MingLiang;Liu,BingYu;Wei,DongMei;Liu,JianBing[BulletinoftheChemicalSocietyofEthiopia,2013,vol.27,#2,p.295-300]

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

[9]Jiang,Nan;Bu,Yanxin;Wang,Yu;Nie,Minhua;Zhang,Dajun;Zhai,Xin[Molecules,2016,vol.21,#11]

[10]Zhu,Yong;Chen,Xin;Ran,Ting;Niu,Jiaqi;Zhao,Shuang;Lu,Tao;Tang,Weifang[MedicinalChemistryResearch,2017,vol.26,#11,p.2879-2888]

[11]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]

[12]Hou,Shicheng;Liang,Shishao;Zhang,Chao;Han,Yingmei;Liang,Jianhui;Hu,Hongyu;Zhang,Xingeng;Hu,Chun;Liu,Xiaoping;Zhang,Hong[Molecules,2021,vol.26,#12]

[13]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]

862652-98-0    50529-33-4   
3-(3-chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-4-yl)-1-(2-dimethylamino-ethyl)-urea 

[1]Palani,Anandan;Shapiro,Sherry;McBriar,MarkD.;Clader,JohnW.;Greenlee,WilliamJ.;Spar,Brian;Kowalski,TimothyJ.;Farley,Constance;Cook,John;VanHeek,Margaret;Weig,Blair;O'Neill,Kim;Graziano,Michael;Hawes,Brian[JournalofMedicinalChemistry,2005,vol.48,#15,p.4746-4749]

884875-86-9    50529-33-4   
3-(3-chloro-4-fluoro-phenyl)-1-3-(4-methyl-piperazin-1-yl)-propyl-1-(1,2,3,4-tetrahydro-naphthalen-2-yl)-urea 

[1]Guo,Tao;Gu,Huizhong;Hobbs,DougW.;Busler,DennisE.;Rokosz,LauraL.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#6,p.1718-1721]

[2]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC-WO2006/44293,2006,A2Locationinpatent:Page/Pagecolumn37

[1]Su,Jing;McKittrick,BrianA.;Tang,Haiqun;Burnett,DuaneA.;Clader,JohnW.;Greenlee,WilliamJ.;Hawes,BrianE.;O'Neill,Kim;Spar,Brian;Weig,Blair;Kowalski,Timothy;Sorota,Steve;Li,Cheng;Liu,Tongtong[BioorganicandMedicinalChemistry,2007,vol.15,#16,p.5369-5385]

[2]CurrentPatentAssignee:MERCK&COINC-WO2006/19957,2006,A2Locationinpatent:Page/Pagecolumn32

Literature
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