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1-bromo-8-nitronaphthalene

CAT: 1266-JH629387Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH629387Size:1 Each
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CAS Number
13658-56-5
UN Code
UN 3276
Hazard Statement
Xi
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C10H6BrNO2
Molecular Weight
252.06
Product Name Synonym
1-bromo-8-nitro-naphthalene
Physical Properties
Tan crystals
Hazardous Class
6.1
Safety Statements
S24/25
Density
1.523g/cm3
Flash Point
135.4oC
RIDADR
UN 3276
Melting Point
154-158oC (lit.)

Chemical Information

Naphthalene, 1-bromo-8-nitro-
CAS Number13658-56-5
PubChem CID4147515
IUPAC Name1-bromo-8-nitronaphthalene
Molecular FormulaC10H6BrNO2
Molecular Weight252.06
XLogP3.4
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity229
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CC=C2)Br
InChI
InChI=1S/C10H6BrNO2/c11-8-5-1-3-7-4-2-6-9(10(7)8)12(13)14/h1-6H
InChIKey
FQFDMDPWMTVNKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Naphthalene, 1-bromo-8-nitro-
CAS: 13658-56-5
CID: 4147515
Formula: C10H6BrNO2
MW: 252.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.06
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass250.95819
Monoisotopic Mass250.95819
Topological Polar Surface Area45.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
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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