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Isoprene (Stabilized with TBC)

CAT: 0572-TRC-I822300-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-I822300-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78-79-5
Synonyms
1,3-Butadiene, 2-methyl-; Isoprene (8CI); 2-Methyl-1,3-butadiene; 2-Methylbutadiene; 3-Methyl-1,3-butadiene; Isopentadiene; NSC 9237; β-Methylbivinyl
Hazard Statement
Extremely flammable liquid and vapour; UN number: UN1218; Packing Group: I
Smiles
CC(=C)C=C
Molecular Formula
C5 H8
Molecular Weight
68.12
InChI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
Additionnal Information
IUPAC name: 2-methylbuta-1,3-diene
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Isoprene

Isoprene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number78-79-5
PubChem CID6557
IUPAC Name2-methylbuta-1,3-diene
Molecular FormulaC5H8
Molecular Weight68.12
XLogP2.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity51
SMILES
CC(=C)C=C
InChI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
InChIKey
RRHGJUQNOFWUDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoprene
CAS: 78-79-5
CID: 6557
Formula: C5H8
MW: 68.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight68.12
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass68.062600255
Monoisotopic Mass68.062600255
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity51.1
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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