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Home Carboxes 123-04-6
123-04-6,MFCD00018940
Catalog No.:AA000JTY

123-04-6 | Heptane, 3-(chloromethyl)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
99%(GC)
in stock  
$24.00   $17.00
- +
25g
98%
in stock  
$34.00   $24.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000JTY
Chemical Name:
Heptane, 3-(chloromethyl)-
CAS Number:
123-04-6
Molecular Formula:
C8H17Cl
Molecular Weight:
148.6736
MDL Number:
MFCD00018940
SMILES:
CCCCC(CCl)CC
NSC Number:
8883
Properties
Properties
 
BP:
173.426°C at 760 mmHg  
Form:
Liquid  
MP:
-70 °C  
Refractive Index:
1.432-1.436  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
52.5  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.4  

Downstream Synthesis Route
123-04-6    112-18-5   
(2-ethyl-hexyl)-dodecyl-dimethyl-ammonium;chloride 

[1]Ishidate;Shikata;Yamamoto[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1947,vol.67,p.17][Chem.Abstr.,1951,p.6801]

[1]Fukuietal.[KogyoKagakuzasshi/JournaloftheSocietyofChemicalIndustry,1956,vol.59,p.482,484][Chem.Abstr.,1958,p.3661]

[1]Sumrell;Hornbaker[JournalofOrganicChemistry,1958,vol.23,p.1218]

[1]CurrentPatentAssignee:EVONIKINDUSTRIESAG-US2006/205987,2006,A1Locationinpatent:Page/Pagecolumn5

[2]Snyder,DudleyC.[JournalofOrganicChemistry,1995,vol.60,#8,p.2638-2639]

[3]Annapureddy,RajasekarReddy;Harenberg,JohannesH.;Hoefer,CarlaA.;Knochel,Paul;Weidmann,Niels;Wiegand,AlexanderJ.[AngewandteChemie-InternationalEdition,2021,vol.60,#26,p.14296-14301][Angew.Chem.,2021,vol.133,#26,p.14416-14421]

[4]CurrentPatentAssignee:EVONIKINDUSTRIESAG-US2006/205987,2006,A1Locationinpatent:Page/Pagecolumn5

[5]Huy,PeterH.;Filbrich,Isabel[Chemistry-AEuropeanJournal,2018,vol.24,#29,p.7410-7416]

[6]Börjesson,Marino;Moragas,Toni;Martin,Ruben[JournaloftheAmericanChemicalSociety,2016,vol.138,#24,p.7504-7507]

[7]Weizmannetal.[Chemistryandindustry,1937,vol.15,p.587,589]

[8]Fuller,A.E.;Hickinbottom,W.J.[JournaloftheChemicalSociety,1965,p.3228-3234]

[9]CurrentPatentAssignee:PFIZERINC-US2161826,1934,A

123-04-6    106-48-9    1632-16-2   
2-(1-ethyl-1-methyl-pentyl)-4-chloro-phenol 

[1]CurrentPatentAssignee:PFIZERINC-US2161826,1934,A

Literature
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SDS
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