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1,3-Dibromopropane

CAT: 0572-TRC-D425850-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D425850-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109-64-8
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
BrCCCBr
Molecular Formula
C3 H6 Br2
Molecular Weight
201.89
InChI
InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2
Additionnal Information
IUPAC name: 1,3-dibromopropane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,3-Dibromopropane

1,3-Dibromopropane is an organobromide compound. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock. (L625)

CAS Number109-64-8
PubChem CID8001
IUPAC Name1,3-dibromopropane
Molecular FormulaC3H6Br2
Molecular Weight201.89
XLogP2.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity12
SMILES
C(CBr)CBr
InChI
InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2
InChIKey
VEFLKXRACNJHOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dibromopropane
CAS: 109-64-8
CID: 8001
Formula: C3H6Br2
MW: 201.89
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.89
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass201.88158
Monoisotopic Mass199.88363
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity12.4
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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