Product Name

  • Name

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

  • EINECS 250-001-7
  • CAS No. 30007-47-7
  • Article Data5
  • CAS DataBase
  • Density 1.83 g/cm3
  • Solubility Soluble in water at 12.5mg/ml
  • Melting Point 60 °C
  • Formula C4H6BrNO4
  • Boiling Point 280.8 °C at 760 mmHg
  • Molecular Weight 212
  • Flash Point 123.6 °C
  • Transport Information
  • Appearance White crystalline powder
  • Safety 36
  • Risk Codes 22-38
  • Molecular Structure Molecular Structure of 30007-47-7 (5-Bromo-5-nitro-1,3-dioxane)
  • Hazard Symbols HarmfulXn
  • Synonyms m-Dioxane,5-bromo-5-nitro- (8CI);1,3-Dioxane, 5-bromo-5-nitro-;BRN 4668673;UNII-U184I9QBNM;
  • PSA 64.28000
  • LogP 0.88180

Synthetic route

formaldehyd
50-00-0

formaldehyd

2-bromo-2-nitro-1,3-propanediol
52-51-7

2-bromo-2-nitro-1,3-propanediol

bronidox
30007-47-7

bronidox

Conditions
ConditionsYield
With sulfuric acid; hydrogen bromide In water at 95℃; for 1h;69%
5-nitro-1,3-dioxane sodium salt

5-nitro-1,3-dioxane sodium salt

bronidox
30007-47-7

bronidox

Conditions
ConditionsYield
With bromine In water for 0.5h;
bronidox
30007-47-7

bronidox

sodium thioethylate
811-51-8

sodium thioethylate

A

Diethyl disulfide
110-81-6

Diethyl disulfide

B

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

Conditions
ConditionsYield
In dimethyl sulfoxide for 3h; Ambient temperature;A 95%
B 90%
...Expand
bronidox
30007-47-7

bronidox

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

Conditions
ConditionsYield
With sodium ionolate In dimethyl sulfoxide at 20℃; for 2h;90%
bronidox
30007-47-7

bronidox

aci-5-nitro-1,3-dioxane lithium salt

aci-5-nitro-1,3-dioxane lithium salt

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

Conditions
ConditionsYield
In dimethyl sulfoxide at 20℃; for 4h;82%
lithium 2-nitropropane
3958-63-2

lithium 2-nitropropane

bronidox
30007-47-7

bronidox

A

2,3-dimethyl-2,3-dinitrobutane
3964-18-9

2,3-dimethyl-2,3-dinitrobutane

B

5-nitro-5-(2-nitro-1-methylethyl)-1,3-dioxane
91173-72-7

5-nitro-5-(2-nitro-1-methylethyl)-1,3-dioxane

C

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

D

LiBr

LiBr

Conditions
ConditionsYield
In dimethyl sulfoxide at 20℃; for 3h;A n/a
B 80%
C 15%
D n/a
In dimethyl sulfoxide at 20℃; for 3h; Yields of byproduct given;A 40%
B n/a
C n/a
D n/a
...Expand
4-Methoxystyrene
637-69-4

4-Methoxystyrene

bronidox
30007-47-7

bronidox

C13H15NO5

C13H15NO5

Conditions
ConditionsYield
With copper(l) iodide; N,N,N',N'',N'''-pentamethyldiethylenetriamine; tetrabutylammomium bromide In toluene at 40℃; for 20h; Inert atmosphere;79%
5-vinyl-2,3-dihydrobenzofuran
633335-97-4

5-vinyl-2,3-dihydrobenzofuran

bronidox
30007-47-7

bronidox

C14H15NO5

C14H15NO5

Conditions
ConditionsYield
With copper(l) iodide; N,N,N',N'',N'''-pentamethyldiethylenetriamine; tetrabutylammomium bromide In toluene at 40℃; for 20h; Inert atmosphere;76%
bronidox
30007-47-7

bronidox

aci-5-nitro-1,3-dioxane lithium salt

aci-5-nitro-1,3-dioxane lithium salt

A

5-(1,3-dioxa-5-cyclohexylidene)-1,3-dioxane
86251-75-4

5-(1,3-dioxa-5-cyclohexylidene)-1,3-dioxane

B

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

Conditions
ConditionsYield
In dimethyl sulfoxide at 20℃; for 4h;A 70%
B 20%
In dimethyl sulfoxide at 20℃; for 1.5h; Product distribution; Mechanism; Irradiation; other ratio of educts, without and with the presence of radical inhibitors, with or without UV irradiation, other time;A 25%
B 55%
...Expand
1,2-dimethylindole
875-79-6

1,2-dimethylindole

(E)-1-(buta-1,3-diene-1-yl)-4-methoxybenzene
32507-39-4

(E)-1-(buta-1,3-diene-1-yl)-4-methoxybenzene

bronidox
30007-47-7

bronidox

(E)-3-(1-(4-methoxyphenyl)-4-(5-nitro-1,3-dioxan-5-yl)but-2-en-1-yl)-1,2-dimethyl-1H-indole

(E)-3-(1-(4-methoxyphenyl)-4-(5-nitro-1,3-dioxan-5-yl)but-2-en-1-yl)-1,2-dimethyl-1H-indole

Conditions
ConditionsYield
With indium(III) bromide; silver carbonate In 1,4-dioxane at 120℃; for 12h; Schlenk technique; Inert atmosphere; regioselective reaction;70%
...Expand
C21H21NO2

C21H21NO2

bronidox
30007-47-7

bronidox

C24H23ClN2O5

C24H23ClN2O5

Conditions
ConditionsYield
With copper(l) iodide; N,N,N',N'',N'''-pentamethyldiethylenetriamine; tetrabutylammomium bromide In toluene at 60℃; for 20h; Inert atmosphere;68%
bronidox
30007-47-7

bronidox

C9H15LiO4

C9H15LiO4

A

5-(1,3-dioxa-5-cyclohexylidene)-1,3-dioxane
86251-75-4

5-(1,3-dioxa-5-cyclohexylidene)-1,3-dioxane

B

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

C

ethyl diethyl malonate
133-13-1

ethyl diethyl malonate

D

diethyl ethyl(5-nitro-1,3-dioxan-5-yl)malonate

diethyl ethyl(5-nitro-1,3-dioxan-5-yl)malonate

Conditions
ConditionsYield
In dimethyl sulfoxide at 20℃; for 12h; Yield given;A n/a
B 11%
C n/a
D 67%
In dimethyl sulfoxide at 20℃; for 12h;A n/a
B 11%
C n/a
D 67%
...Expand
bronidox
30007-47-7

bronidox

5-nitro-1,3-dioxane
4064-86-2

5-nitro-1,3-dioxane

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at 0 - 20℃;64%
With mercury In water for 672h;
With potassium chloride In water Product distribution; electrolysis;
bronidox
30007-47-7

bronidox

phenylacetylene
536-74-3

phenylacetylene

C12H12BrNO4

C12H12BrNO4

Conditions
ConditionsYield
With N,N,N',N'',N'''-pentamethyldiethylenetriamine; copper(I) bromide In acetonitrile for 10h; Reflux; Inert atmosphere; diastereoselective reaction;56%
4-Methoxystyrene
637-69-4

4-Methoxystyrene

bronidox
30007-47-7

bronidox

N,N-dimethyl-aniline
121-69-7

N,N-dimethyl-aniline

4-(1-(4-methoxyphenyl)-2-(5-nitro-1,3-dioxan-5-yl)ethyl)-N,N-dimethylaniline

4-(1-(4-methoxyphenyl)-2-(5-nitro-1,3-dioxan-5-yl)ethyl)-N,N-dimethylaniline

Conditions
ConditionsYield
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; potassium carbonate; copper(l) chloride In acetonitrile at 20℃; for 2h; Inert atmosphere; Irradiation; Schlenk technique;54%
...Expand
C18H17NO

C18H17NO

bronidox
30007-47-7

bronidox

C20H20N2O5

C20H20N2O5

Conditions
ConditionsYield
With copper(l) iodide; N,N,N',N'',N'''-pentamethyldiethylenetriamine; tetrabutylammomium bromide In toluene at 60℃; for 20h; Inert atmosphere;53%
lithium 2-nitropropane
3958-63-2

lithium 2-nitropropane

bronidox
30007-47-7

bronidox

A

2,3-dimethyl-2,3-dinitrobutane
3964-18-9

2,3-dimethyl-2,3-dinitrobutane

B

5-nitro-5-(2-nitro-1-methylethyl)-1,3-dioxane
91173-72-7

5-nitro-5-(2-nitro-1-methylethyl)-1,3-dioxane

C

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

Conditions
ConditionsYield
In dimethyl sulfoxide at 20℃; for 4h;A 40%
B 52%
C 38%
...Expand
1-methyl-4-isopropenylbenzene
1195-32-0

1-methyl-4-isopropenylbenzene

bronidox
30007-47-7

bronidox

C14H17NO4

C14H17NO4

Conditions
ConditionsYield
With copper(l) iodide; N,N,N',N'',N'''-pentamethyldiethylenetriamine; benzyl tri-n-butylammonium bromide; tris[(2-pyridylmethyl)amine] In 1,4-dioxane at 100℃; for 20h; Heck Reaction; Inert atmosphere; regioselective reaction;49%
4-Methoxystyrene
637-69-4

4-Methoxystyrene

ethanol
64-17-5

ethanol

bronidox
30007-47-7

bronidox

5-(2-ethoxy-2-(4-methoxyphenyl)ethyl)-5-nitro-1,3-dioxane

5-(2-ethoxy-2-(4-methoxyphenyl)ethyl)-5-nitro-1,3-dioxane

Conditions
ConditionsYield
With N,N,N',N'',N'''-pentamethyldiethylenetriamine; N-ethyl-N,N-diisopropylamine; copper(I) bromide In 1,2-dichloro-ethane at 20℃; for 20h; Inert atmosphere;49%
...Expand
1H-4(5)-nitroimidazole
3034-38-6

1H-4(5)-nitroimidazole

bronidox
30007-47-7

bronidox

5-(4-nitroimidazol-1-yl)-5-nitro-1,3-dioxane
117836-31-4

5-(4-nitroimidazol-1-yl)-5-nitro-1,3-dioxane

Conditions
ConditionsYield
With potassium tert-butylate In dimethyl sulfoxide for 27h; Irradiation;42%
5-nitro-1,3-dioxane
4064-86-2

5-nitro-1,3-dioxane

bronidox
30007-47-7

bronidox

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

Conditions
ConditionsYield
Stage #1: 5-nitro[1,3]dioxane With potassium tert-butylate In dimethyl sulfoxide
Stage #2: bronidox In dimethyl sulfoxide Further stages.;		38%
4-Methoxystyrene
637-69-4

4-Methoxystyrene

1,2,3-trimethoxybenzene
621-23-8

1,2,3-trimethoxybenzene

bronidox
30007-47-7

bronidox

5-(2-(4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethyl)-5-nitro-1,3-dioxane

5-(2-(4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethyl)-5-nitro-1,3-dioxane

Conditions
ConditionsYield
With 1,10-Phenanthroline; copper(II) bis(trifluoromethanesulfonate); potassium carbonate; silver(l) oxide In acetonitrile at 120℃; for 12h; Schlenk technique; Inert atmosphere;37%
...Expand
bronidox
30007-47-7

bronidox

sodium thioethylate
811-51-8

sodium thioethylate

A

Diethyl disulfide
110-81-6

Diethyl disulfide

B

5-(1,3-dioxa-5-cyclohexylidene)-1,3-dioxane
86251-75-4

5-(1,3-dioxa-5-cyclohexylidene)-1,3-dioxane

C

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

Conditions
ConditionsYield
In dimethyl sulfoxide for 3h; Ambient temperature;A n/a
B 35%
C n/a
...Expand
methyl 2-((diphenylmethylene)amino)propanoate
115134-32-2

methyl 2-((diphenylmethylene)amino)propanoate

bronidox
30007-47-7

bronidox

methyl (E)-2-((diphenylmethylene)amino)-3-(5-nitro-1,3-dioxan-5-yl)acrylate

methyl (E)-2-((diphenylmethylene)amino)-3-(5-nitro-1,3-dioxan-5-yl)acrylate

Conditions
ConditionsYield
With bathophenanthroline; silver(I) acetate; copper diacetate at 110℃; for 48h; Inert atmosphere; chemoselective reaction;15%
4(5)-nitroimidazole anion
36954-04-8

4(5)-nitroimidazole anion

bronidox
30007-47-7

bronidox

5-(4-nitroimidazol-1-yl)-5-nitro-1,3-dioxane
117836-31-4

5-(4-nitroimidazol-1-yl)-5-nitro-1,3-dioxane

Conditions
ConditionsYield
With potassium tert-butylate In dimethyl sulfoxide for 27h; Irradiation;81 % Spectr.
bronidox
30007-47-7

bronidox

5-amino-1,3-dioxane

5-amino-1,3-dioxane

Conditions
ConditionsYield
With McIlvaine buffer In water Product distribution; Mechanism; polarography, var. pH, buffer system;

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

CAS: 30007-47-7
Molecular Formula: C4H6BrNO4
Molecular Weight: 212
IUPAC Name: 5-bromo-5-nitro-1,3-dioxane
Molecular structure:

EINECS: 250-001-7
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 64.28 Å2
Melting point: 60°C
Storage temp: Refrigerator
Index of Refraction: 1.532
Molar Refractivity: 35.77 cm3
Molar Volume: 115.3 cm3
Polarizability: 14.18 10-24cm3
Surface Tension: 51.6 dyne/cm
Density: 1.83 g/cm3
Flash Point: 123.6 °C
Enthalpy of Vaporization: 51.95 kJ/mol
Boiling Point: 280.8 °C at 760 mmHg
Vapour Pressure: 0.00371 mmHg at 25°C
InChI
InChI=1/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2
Smiles
C1([N+](=O)[O-])(COCOC1)Br
Classification Code: Skin / Eye Irritant

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

 5-Bromo-5-nitro-1,3-dioxane (CAS NO.30007-47-7) is commonly used for the preparation of cosmetics, paints, etc.

5-Bromo-5-nitro-1,3-dioxane Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 590mg/kg (590mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Fette, Seifen, Anstrichmittel. Vol. 78, Pg. 269, 1976.
rabbit LDLo subcutaneous 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"		 Fette, Seifen, Anstrichmittel. Vol. 78, Pg. 269, 1976.
rat LD50 intraperitoneal 31mg/kg (31mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Fette, Seifen, Anstrichmittel. Vol. 78, Pg. 269, 1976.
rat LD50 oral 455mg/kg (455mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Fette, Seifen, Anstrichmittel. Vol. 78, Pg. 269, 1976.

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

Reported in EPA TSCA Inventory.

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

Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. A skin irritant. When heated to decomposition it emits very toxic fumes of Br− and NOx.
Hazard Codes: HarmfulXn
Risk Statements: 22-38
R22:Harmful if swallowed. 
R38:Irritating to skin.
Safety Statements: 36
S36:Wear suitable protective clothing.
RIDADR: 1759
WGK Germany: 3

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

  5-Bromo-5-nitro-1,3-dioxane (CAS NO.30007-47-7) can be also called as Bronidox; Bronidox l ; 3-Dioxane,5-bromo-5-nitro-1 ; 5-Brom-5-nitro-1,3-dioxan ; 5-bromo-5-nitro-3-dioxane ; 5-Bromo-5-Nitro-1,3-Dioxame and so on. 5-Bromo-5-nitro-1,3-dioxane (CAS NO.30007-47-7) is commonly in the form of white crystal powder.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View