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1-Bromonaphthalene-d7

CAT: 0804-HY-Y1119S-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1119S-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Bromonaphthalene-d7 is the deuterium labeled 1-Bromonaphthalene[1].
CAS Number
37621-57-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.91
Solubility
DMSO : ≥ 200 mg/mL
Smiles
BrC1=C([2H])C([2H])=C([2H])C2=C1C([2H])=C([2H])C([2H])=C2[2H]
Molecular Formula
C10D7Br
Molecular Weight
214.11
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-Bromonaphthalene-d7
CAS Number37621-57-1
PubChem CID45038458
IUPAC Name1-bromo-2,3,4,5,6,7,8-heptadeuterionaphthalene
Molecular FormulaC10H7Br
Molecular Weight214.11
XLogP4.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=C2Br)[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/i1D,2D,3D,4D,5D,6D,7D
InChIKey
DLKQHBOKULLWDQ-GSNKEKJESA-N
Chemical Structure
2D Structure
2D structure of 1-Bromonaphthalene-d7
CAS: 37621-57-1
CID: 45038458
Formula: C10H7Br
MW: 214.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.11
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass213.01705
Monoisotopic Mass213.01705
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count7
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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