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

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

CAS No.:
30007-47-7
Catalog Number:
AG00I5LM
Molecular Formula:
C4H6BrNO4
Molecular Weight:
211.9987
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00I5LM
Chemical Name:
5-Bromo-5-nitro-1,3-dioxane
CAS Number:
30007-47-7
Molecular Formula:
C4H6BrNO4
Molecular Weight:
211.9987
MDL Number:
MFCD00101855
IUPAC Name:
5-bromo-5-nitro-1,3-dioxane
InChI:
InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2
InChI Key:
XVBRCOKDZVQYAY-UHFFFAOYSA-N
SMILES:
BrC1(COCOC1)[N+](=O)[O-]
EC Number:
250-001-7
UNII:
U184I9QBNM
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.948g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.999g/mol
Monoisotopic Mass:
210.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Development of a solid-phase microextraction gas chromatography with microelectron-capture detection method for the determination of 5-bromo-5-nitro-1,3-dioxane in rinse-off cosmetics. Journal of chromatography. A 20101022
Formaldehyde-releasers in cosmetics in the USA and in Europe. Contact dermatitis 20100401
Formaldehyde-releasers in cosmetics: relationship to formaldehyde contact allergy. Part 1. Characterization, frequency and relevance of sensitization, and frequency of use in cosmetics. Contact dermatitis 20100101
Formaldehyde-releasers in cosmetics: relationship to formaldehyde contact allergy. Part 2. Patch test relationship to formaldehyde contact allergy, experimental provocation tests, amount of formaldehyde released, and assessment of risk to consumers allergic to formaldehyde. Contact dermatitis 20100101
Properties