CAS No.30007-47-7,5-Bromo-5-nitro-1,3-dioxane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30007-47-7
Name:	5-Bromo-5-nitro-1,3-dioxane
Article Data:	5

Formula:	C₄H₆BrNO₄
Molecular Weight:	212
Synonyms:	m-Dioxane,5-bromo-5-nitro- (8CI);1,3-Dioxane, 5-bromo-5-nitro-;BRN 4668673;UNII-U184I9QBNM;
EINECS:	250-001-7
Density:	1.83 g/cm³
Melting Point:	60 °C
Boiling Point:	280.8 °C at 760 mmHg
Flash Point:	123.6 °C
Solubility:	Soluble in water at 12.5mg/ml
Appearance:	White crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22-38
Safety:	36
PSA:	64.28000
LogP:	0.88180

Synthetic route

: 50-00-0
formaldehyd

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

: 30007-47-7
bronidox

Conditions

Conditions	Yield
With sulfuric acid; hydrogen bromide In water at 95℃; for 1h;	69%

: 5-nitro-1,3-dioxane sodium salt

: 30007-47-7
bronidox

Conditions

Conditions	Yield
With bromine In water for 0.5h;

: 30007-47-7
bronidox

: 811-51-8
sodium thioethylate

A: 110-81-6
Diethyl disulfide

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

Conditions

Conditions	Yield
In dimethyl sulfoxide for 3h; Ambient temperature;	A 95% B 90%

...Expand

: 30007-47-7
bronidox

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

Conditions

Conditions	Yield
With sodium ionolate In dimethyl sulfoxide at 20℃; for 2h;	90%

: 30007-47-7
bronidox

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

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

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃; for 4h;	82%

: 3958-63-2
lithium 2-nitropropane

: 30007-47-7
bronidox

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

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

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

D LiBr: LiBr

Conditions

Conditions	Yield
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

: 637-69-4
4-Methoxystyrene

: 30007-47-7
bronidox

: C13H15NO5

Conditions

Conditions	Yield
With copper(l) iodide; N,N,N',N'',N'''-pentamethyldiethylenetriamine; tetrabutylammomium bromide In toluene at 40℃; for 20h; Inert atmosphere;	79%

: 633335-97-4
5-vinyl-2,3-dihydrobenzofuran

: 30007-47-7
bronidox

: C14H15NO5

Conditions

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

: 30007-47-7
bronidox

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

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

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

Conditions

Conditions	Yield
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

: 875-79-6
1,2-dimethylindole

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

: 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

Conditions

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

...Expand

Raw Materials

52-51-7

50-00-0

Downstream Products

91173-72-7

110-81-6

3964-18-9

86251-75-4

Total:129 Page 1 of 4 1 2 3 4 Next>>

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Chemistry

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 Å²Melting 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

Uses

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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 NO_x.
Hazard Codes: Harmful Xn
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

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.