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1,4-Dibromobutane

CAT: 0572-TRC-D425130-500GSize: 500 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D425130-500GSize:500 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110-52-1
Synonyms
1,4-Dibromobutane; NSC 71435; Tetramethylene Dibromide; Tetramethylenebromide; α,ω-Dibromobutane
Hazard Statement
Toxic if swallowed.
Smiles
BrCCCCBr
Molecular Formula
C4H8Br2
Molecular Weight
215.91
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

1,4-Dibromobutane

structure given in first source

CAS Number110-52-1
PubChem CID8056
IUPAC Name1,4-dibromobutane
Molecular FormulaC4H8Br2
Molecular Weight215.91
XLogP2.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity17
SMILES
C(CCBr)CBr
InChI
InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2
InChIKey
ULTHEAFYOOPTTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dibromobutane
CAS: 110-52-1
CID: 8056
Formula: C4H8Br2
MW: 215.91
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.91
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass215.89723
Monoisotopic Mass213.89928
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

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