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5-Bromo-5-nitro-1,3-dioxane

CAT: 0862-GA6057-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GA6057-5gSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30007-47-7
EC Number
250-001-7
MDL Number
MFCD00101855
HS Code
29329900
Purity
99.00%
Molecular Formula
C4H6BrNO4
Molecular Weight
212
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

5-Bromo-5-Nitro-1,3-Dioxane

The evidence at hand indicates 5-Bromo-5-Nitro-1,3-Dioxane to be safe as a cosmetic ingredient at concentrations up to and including 0.1 percent except under circumstances where its action with amines or amides can result in the formation of nitrosamines or nitrosamides.

CAS Number30007-47-7
PubChem CID1807
IUPAC Name5-bromo-5-nitro-1,3-dioxane
Molecular FormulaC4H6BrNO4
Molecular Weight212.00
XLogP0.3
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity139
SMILES
C1C(COCO1)([N+](=O)[O-])Br
InChI
InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2
InChIKey
XVBRCOKDZVQYAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-5-Nitro-1,3-Dioxane
CAS: 30007-47-7
CID: 1807
Formula: C4H6BrNO4
MW: 212.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.00
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass210.94802
Monoisotopic Mass210.94802
Topological Polar Surface Area64.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity139
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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