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Ethylbenzene-d10

CAT: 0572-TRC-E899918-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E899918-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25837-05-2
Synonyms
Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-; Benzene-d5, ethyl-d5- (8CI,9CI); 6-(Ethyl-1,1,2,2,2-d5)benzene-1,2,3,4,5-d5; (Ethyl-d5)benzene-d5; Ethylbenzene-d10; Perdeuteroethylbenzene
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1175; Packing Group: II
Purity
>95% (GC)
Smiles
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C8 2H10
Molecular Weight
116.23
InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D
Additionnal Information
IUPAC name: 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-
CAS Number25837-05-2
PubChem CID117648
IUPAC Name1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene
Molecular FormulaC8H10
Molecular Weight116.23
XLogP3.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity51
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H]
InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D
InChIKey
YNQLUTRBYVCPMQ-CFTAVCBPSA-N
Chemical Structure
2D Structure
2D structure of Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-
CAS: 25837-05-2
CID: 117648
Formula: C8H10
MW: 116.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.23
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass116.141017778
Monoisotopic Mass116.141017778
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity51.1
Isotope Atom Count10
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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