Products for Research Use Only

4-Chlorodecane

CAT: 0013-GTR19224130-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224130-01Size:100 mg
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Description
4-Chlorodecane is a halogenated alkane used as a chemical intermediate and reference standard in organic synthesis and analytical research. It serves as a model compound in studies investigating the environmental fate and metabolic pathways of chlorinated hydrocarbons in both in vitro and in vivo systems.
CAS Number
999-49-5
Smiles
ClC (CCC) CCCCCC
Molecular Formula
C10H21Cl
Molecular Weight
176.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Chlorodecane
CAS Number999-49-5
PubChem CID525055
IUPAC Name4-chlorodecane
Molecular FormulaC10H21Cl
Molecular Weight176.72
XLogP5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity71
SMILES
CCCCCCC(CCC)Cl
InChI
InChI=1S/C10H21Cl/c1-3-5-6-7-9-10(11)8-4-2/h10H,3-9H2,1-2H3
InChIKey
SFSRUCSICQYPSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorodecane
CAS: 999-49-5
CID: 525055
Formula: C10H21Cl
MW: 176.72
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight176.72
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Exact Mass176.1331784
Monoisotopic Mass176.1331784
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity71.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes