Name: Name:Heptane, 3-(chloromethyl)-
Brand: AABLOCKS
SKU: AA000JTY
Rating: 90 (10 reviews)

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

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℃;

Complexity: 52.5

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 9

Hydrogen Bond Acceptor Count: 0

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

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]

123-04-6

7341-17-5

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

123-04-6

16679-04-2

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

104-76-7

123-04-6

[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

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