Products for Research Use Only

1,4-Dichlorobutane

CAT: 0572-TRC-D436008-25GSize: 25 gDry Ice: NoHazardous: Yes
Product image 1
1 / 1
CAT#:0572-TRC-D436008-25GSize:25 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
110-56-5
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
ClCCCCCl
Molecular Formula
C4 H8 Cl2
Molecular Weight
127.01
InChI
InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
Additionnal Information
IUPAC name: 1,4-dichlorobutane
Shipping Conditions
Room Temperature

Chemical Information

1,4-Dichlorobutane

1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)

CAS Number110-56-5
PubChem CID8059
IUPAC Name1,4-dichlorobutane
Molecular FormulaC4H8Cl2
Molecular Weight127.01
XLogP2.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity17
SMILES
C(CCCl)CCl
InChI
InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
InChIKey
KJDRSWPQXHESDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dichlorobutane
CAS: 110-56-5
CID: 8059
Formula: C4H8Cl2
MW: 127.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight127.01
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass126.0003056
Monoisotopic Mass126.0003056
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity17.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes