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

CAT: 0931-T19808-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T19808-01Size:100 mg

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CAS Number

30007-47-7

Target

Antifungal, Antibacterial

Related Pathways

Microbiology/Virology

Purity

0.9987

Bioactivity

5-Bromo-5-nitro-1,3-dioxane (Bronidox) is an antimicrobial compound that inhibits bacterial enzyme activity.

Smiles

N(=O)(=O)C1(Br)COCOC1

Molecular Formula

C4H6BrNO4

Molecular Weight

212

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	30007-47-7
PubChem CID	1807
IUPAC Name	5-bromo-5-nitro-1,3-dioxane
Molecular Formula	C4H6BrNO4
Molecular Weight	212.00
XLogP	0.3
Topological Polar Surface Area	64.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	139

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

CAS: 30007-47-7

CID: 1807

Formula: C4H6BrNO4

MW: 212.00

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	212.00
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	210.94802
Monoisotopic Mass	210.94802
Topological Polar Surface Area	64.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
JH246400	5-Bromo-5-nitro-1,3-dioxane
99R-105	5-Bromo-5-nitro-1,3-dioxane (solution)
HY-W014316R	5-Bromo-5-nitro-1,3-dioxane (Standard)
TRC-B697992-10MG	5-Bromo-5-nitro-1,3-dioxane-d6
ABT-810-10	5-Bromo-5-nitro-1,3-dioxane (BND)
99R-104	5-Bromo-5-nitro-1,3-dioxane (powder)
B23020	5-Bromo-5-nitro-1,3-dioxane 98%
51879-01	5-Bromo-5-Nitro-1,3-Dioxane (Bronidox) extrapure, 99%
435740-01	5-Bromo-5-nitro-1,3-dioxane discontinued. See 263928

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

Chemical Information

Related Products

Alternative Products

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