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(2-Bromoethyl)benzene-d5

CAT: 0572-TRC-B684687-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B684687-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35845-64-8
Synonyms
Benzene-d5, (2-bromoethyl)- (9CI); 1-(2-Bromoethyl)-2,3,4,5,6-pentadeuteriobenzene; 2-(Pentadeuterophenyl)ethyl bromide; (2-Bromoethyl)benzene-2,3,4,5,6-d5; (2-Bromoethyl)benzene-D5; Phenethylbromide-d5 (phenyl-d5)
Hazard Statement
Combustible liquid and vapour.
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(CCBr)c([2H])c1[2H]
Molecular Formula
C8 D5 H4 Br
Molecular Weight
190.092
InChI
InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/i1D,2D,3D,4D,5D
Additionnal Information
IUPAC name: 1-(2-bromoethyl)-2,3,4,5,6-pentadeuteriobenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(2-Bromoethyl)benzene-D5
CAS Number35845-64-8
PubChem CID11644064
IUPAC Name1-(2-bromoethyl)-2,3,4,5,6-pentadeuteriobenzene
Molecular FormulaC8H9Br
Molecular Weight190.09
XLogP3.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])CCBr)[2H])[2H]
InChI
InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/i1D,2D,3D,4D,5D
InChIKey
WMPPDTMATNBGJN-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of (2-Bromoethyl)benzene-D5
CAS: 35845-64-8
CID: 11644064
Formula: C8H9Br
MW: 190.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.09
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass189.02015
Monoisotopic Mass189.02015
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity65
Isotope Atom Count5
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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