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2-Bromobutane

CAT: 1596-AR-B08154-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B08154-06Size:250 Units
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CAS Number
78-76-2
Molecular Formula
C4H9Br
Molecular Weight
137.02
API Name
Butanol

Chemical Information

2-Bromobutane

2-bromobutane appears as a colorless to pale-yellow colored liquid with a pleasant odor. Flash point 65 °F. Insoluble in water and denser than water. Vapors are heavier than air and may be narcotic in high concentrations. Used to make other chemicals.

CAS Number78-76-2
PubChem CID6554
IUPAC Name2-bromobutane
Molecular FormulaC4H9Br
Molecular Weight137.02
XLogP2.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity19
SMILES
CCC(C)Br
InChI
InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKey
UPSXAPQYNGXVBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromobutane
CAS: 78-76-2
CID: 6554
Formula: C4H9Br
MW: 137.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.02
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass135.98876
Monoisotopic Mass135.98876
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity19.6
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

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