2-Bromo-2-nitro-1,3-propanediol supplier

Name
2-Bromo-2-nitro-1,3-propanediol
EINECS 200-143-0
CAS No. 52-51-7
Article Data19
CAS DataBase
Density 2.018 g/cm³
Solubility 25 g/100 mL (22 °C) in water
Melting Point 130- 133°C
Formula C₃ H₆BrNO₄
Boiling Point 358 °C at 760 mmHg
Molecular Weight 199.989
Flash Point 170.3 °C
Transport Information UN 3241 4.1/PG 3
Appearance off-white crystalline powder
Safety 26-37/39-61
Risk Codes 21/22-37/38-41-50
Molecular Structure
Hazard Symbols Xn, N
Synonyms 2-Bromo-2-nitro-1,3-propanediol;2-Bromo-2-nitropropan-1,3-diol;2-Bromo-2-nitropropane-1,3-diol;2-Nitro-2-bromo-1,3-propanediol;Bioban;Bronidiol;Bronocot;Bronopol;Bronotak;Canguard 409;Myacide AS;Myacide AS Plus;Myacide PharmaBP;N 25 (antimicrobial);NSC 141021;Nalco 92RU093;Preventol P 100;Protectol BN 98;Protectol BN 99;Ultra-Fresh SAB;
PSA 86.28000
LogP -0.13790

Synthetic route

: Sodium; 3-hydroxy-2-[(Z)-hydroxyimino]-propionate

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

Conditions

Conditions	Yield
With bromine In diethyl ether at 0℃; for 0.5h;	88.6%

: 50-00-0
formaldehyd

: 75-52-5
nitromethane

: 464-10-8
bromopicrin

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

Conditions

Conditions	Yield
With sodium hydroxide In water at 44 - 55℃; pH=5.3 - 7.2; Product distribution / selectivity;	76.8%

...Expand

: 50-00-0
formaldehyd

: 563-70-2
bromonitromethane

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

: 126-11-4
2-hydroxymethyl-2-nitro-propane-1,3-diol

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

Conditions

Conditions	Yield
With alkali hypobromite und nachfolgender Zusatz von Brom;

: 126-11-4
2-hydroxymethyl-2-nitro-propane-1,3-diol

bromo solution: bromo solution

bromine: bromine

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

B: 464-10-8
bromopicrin

C potassium salt of bromodinitromethane: potassium salt of bromodinitromethane

...Expand

: 50-00-0
formaldehyd

(+-)-1--cyclohexanol: (+-)-1--cyclohexanol

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

Conditions

Conditions	Yield
With sodium hydroxide

sodium compound of β-nitro-trimethylene glycol: sodium compound of β-nitro-trimethylene glycol

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

Conditions

Conditions	Yield
With chloroform; bromine

sodium compound of 2-nitro-propanediol-(1.3): sodium compound of 2-nitro-propanediol-(1.3)

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

Conditions

Conditions	Yield
With bromine

: 5-bromo-2-(2-methylpropyl)-5-nitro-1,3,2-dioxaborinane

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

Conditions

Conditions	Yield
With water; oxygen

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

A: 150-60-7
dibenzyl disulphide

B: 1092975-49-9
2,3-bis(hydroxymethyl)-2-,3-dinitro-1,4-butanediol

Conditions

Conditions	Yield
With sodium; phenylmethanethiol In methanol for 1h;	A 99% B 48%

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

: 75-07-0
acetaldehyde

: 53983-00-9
5-bromo-2-methyl-5-nitro-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In water; benzene	85%

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

: 77-76-9
2,2-dimethoxy-propane

: 60766-57-6
2,2-dimethyl-5-bromo-5-nitro-1,3-dioxane

Conditions

Conditions	Yield
With [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid at 20℃; for 48h;	82%
With camphor-10-sulfonic acid at 20℃; for 72h; Inert atmosphere;	75.3%

: 50-00-0
formaldehyd

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

: 75-64-9
tert-butylamine

: 261508-04-7
1,3-di(tert-butyl)-5-bromo-5-nitro-1,3-diazacyclohexane

Conditions

Conditions	Yield
In methanol; water at 20℃; for 48h; Condensation; cyclization;	81%

...Expand

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

: 67-64-1
acetone

: 60766-57-6
2,2-dimethyl-5-bromo-5-nitro-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 120℃; for 24h;	73%
With chloroform; sulfuric acid

: 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-O-nitro-1,4:3,6-dianhydro-D-sorbit-2-yl) phosphorodichloridate

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

: 1225453-43-9
5-bromo-2-(5-O-nitro-1,4:3,6-dianhydro-D-glucit-2-yloxy)-5-nitro-2-oxo-1,3,2λ5-dioxaphosphorinane

Conditions

Conditions	Yield
With pyridine In acetonitrile at 15 - 30℃; for 23.5h;	68%

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

: 95093-83-7
diisobutyl ester of isobutylboronic acid

: 5-bromo-2-(2-methylpropyl)-5-nitro-1,3,2-dioxaborinane

Conditions

Conditions	Yield
In benzene	68%

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

: 122-52-1
triethyl phosphite

: C7H16NO7P

Conditions

Conditions	Yield
In toluene Michaelis-Arbuzov Synthesis; Reflux;	67%

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

: 86623-97-4
4-bromophenyl carbamidophosphoric acid dichloride

: N-bromophenyl-N'-[5-bromo-5-nitro-2-oxido-1,3,2-dioxaphosphorinane-2-yl]urea

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 0 - 20℃; for 7h;	62%

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

: 101252-13-5
N-4-methylphenylureidophosphoryl dichloride

: 1-(5-bromo-5-nitro-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-3-p-tolyl-urea

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 0 - 20℃;	61%

: 676-97-1
methylphosphonic acid dichloroanhydride

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

: 5-bromo-nitro-2-methyl-2-oxo-1,3,2-dioxaphosphorinane

Conditions

Conditions	Yield
In 1,4-dioxane at 50℃; for 3h; Product distribution; reactions of derivatives;	60%
In 1,4-dioxane at 50℃; for 3h;	60%

: 777-52-6
1-dichlorophosphoryloxy-4-nitro-benzene

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

: 75386-09-3
5-bromo-5-nitro-2-p-nitrophenoxy-2oxo-1,3,2-dioxaphosphorinane

Conditions

Conditions	Yield
In 1,4-dioxane at 50℃; for 3h;	60%

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

: 4797-12-0
4-chlorophenyl-carbamidophosphoric acid dichloride

: 1-(5-bromo-5-nitro-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-3-(4-chloro-phenyl)-urea

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 0 - 20℃;	60%

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

: 41018-19-3
2,4-dimethylphenyl carbamidophosphoric acid dichloride

: 1-(5-bromo-5-nitro-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-3-(2,4-dimethyl-phenyl)-urea

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 0 - 20℃;	58%

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

: 770-12-7
O-phenyl phosphorodichloridate

: 75386-07-1
5-bromo-5-nitro-2-phenoxy-2-oxo-1,3,2-dioxaphosphorinane

Conditions

Conditions	Yield
In 1,4-dioxane at 50℃; for 3h;	56%

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

: 603964-78-9
C8H8Cl3N2O2P

: 1-(5-bromo-5-nitro-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-3-(2-chloromethyl-phenyl)-urea

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 0 - 20℃;	56%

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

: 4797-20-0
[1]naphthylcarbamoyl-amidophosphoryl chloride

: 1-(5-bromo-5-nitro-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-3-naphthalen-1-yl-urea

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 0 - 20℃;	53%

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

: 4797-10-8
phenylcarbamidophosphoric acid dichloride

: 1-(5-bromo-5-nitro-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-3-phenyl-urea

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 0 - 20℃;	52%

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

: 878-17-1
4-methylphenyl phosphorodichloridate

: 75386-08-2
5-Bromo-5-nitro-2-p-tolyloxy-[1,3,2]dioxaphosphinane 2-oxide

Conditions

Conditions	Yield
In 1,4-dioxane at 50℃; for 3h;	49%

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

: 603964-77-8
C7H13Cl2N2O2P

: 1-(5-bromo-5-nitro-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-3-cyclohexyl-urea

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 0 - 20℃;	48%

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

: 940-18-1
m-Tolyl dichlorophosphate

: 75401-02-4
5-Bromo-5-nitro-2-m-tolyloxy-[1,3,2]dioxaphosphinane 2-oxide

Conditions

Conditions	Yield
In 1,4-dioxane at 50℃; for 3h;	42%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

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

: 5-bromo-5-nitro-2-bis(2-chloroethyl)amino-1,3,2-dioxaphosphorinane 2-oxide

Conditions

Conditions	Yield
With triethylamine In diethyl ether at 20℃; for 4h;	42%

: 13417-49-7
5,6-dihydro-2H-pyran-3-carbaldehyde

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

: 133609-60-6
5-Brom-5-nitro-2-(5',6'-dihydro-2'H-pyranyl)-1,3-dioxan

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	40.3%

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

: 60766-57-6
2,2-dimethyl-5-bromo-5-nitro-1,3-dioxane

Conditions

Conditions	Yield
With trifluoroborane diethyl ether; sodium hydrogencarbonate In hexane; acetone	40%

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

: 3576-20-3
2,2,2-trichloro-1,3-dimethyl-1,3,2-diazaphosphetidin-4-one

: 2-chlor-1,3-dimethyl-7-brom-7-nitro-1,3-diaza-5,9-dioxa-5λ5-phosphaspiro<3.5>nonan-4-on

Conditions

Conditions	Yield
In dichloromethane for 4h;	38%

2-Bromo-2-nitro-1,3-propanediol Chemical Properties

Molecular Structure of Bronopol (CAS NO.52-51-7):

IUPAC Name: 2-bromo-2-nitropropane-1,3-diol
Empirical Formula: C₃H₆BrNO₄
Molecular Weight: 199.988
Index of Refraction: 1.574
Surface Tension: 74.1 dyne/cm
Density: 2.018 g/cm³
Flash Point: 170.3 °C
Enthalpy of Vaporization: 69.86 kJ/mol
Boiling Point: 358 °C at 760 mmHg
Vapour Pressure: 1.45E-06 mmHg at 25°C
Synonyms:1,3-Propanediol, 2-bromo-2-nitro- ; 2-Bromo-1-nitro-1,3-propanediol ; 2-bromo-2-nitro-3-propanediol ; 2-Bromo-2-nitropropan-1,3-diol ; 2-Nitro-2-bromo-1,3-propanediol ; 3-Propanediol,2-bromo-2-nitro-1 ; beta-Bromo-beta-nitrotrimethyleneglycol

2-Bromo-2-nitro-1,3-propanediol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	250mg/kg (250mg/kg)		"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 30, 1976.
mouse	LD50	intraperitoneal	15500ug/kg (15.5mg/kg)		Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977.
mouse	LD50	intravenous	48mg/kg (48mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
mouse	LD50	oral	270mg/kg (270mg/kg)		Pesticide Manual. Vol. 9, Pg. 103, 1991.
mouse	LD50	skin	4750mg/kg (4750mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
mouse	LD50	subcutaneous	116mg/kg (116mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rat	LC50	inhalation	> 5gm/m3/6H (5000mg/m3)		Pesticide Manual. Vol. 9, Pg. 103, 1991.
rat	LD50	intraperitoneal	26mg/kg (26mg/kg)		Journal of the Society of Cosmetic Chemists. Vol. 29, Pg. 3, 1978.
rat	LD50	intravenous	37400ug/kg (37.4mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rat	LD50	oral	180mg/kg (180mg/kg)		"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 30, 1976.
rat	LD50	skin	1600mg/kg (1600mg/kg)		"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A542, Pg. 1984,
rat	LD50	subcutaneous	170mg/kg (170mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1029, 1974.

2-Bromo-2-nitro-1,3-propanediol Safety Profile

Hazard Codes Harmful Xn, Dangerous N
Risk Statements 21/22-37/38-41-50
R21/22:Harmful in contact with skin and if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R50:Very toxic to aquatic organisms.
Safety Statements 26-37/39-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.

2-Bromo-2-nitro-1,3-propanediol Specification

Bronopol (CAS NO.52-51-7) is a white crystals,would burn easily,it may detonate under strong shock.While heated to decomposion evolving toxic gases. Toxic substances through skin absorption, inhalation or ingestion.

Bronopol (CAS NO.52-51-7) is a killing bacterial agents,it can effectively control a variety of plant pathogenic bacteria.It is mainly used for cosmetics,leather preservation,widely used in water treatment, pharmaceutical, pesticides, cosmetics, detergent and other industries as preservatives and sterilizing agents, by the nitro-methane and formaldehyde , bromine reaction derived.Invested in the reactor measured nitro-methane, formaldehyde, water and ethanol, 40% liquid caustic soda was added dropwise under cooling at this time there is solid precipitation, and then dropping quantitative bromine, plus completion of mixing, vacuum steam out of part of the water and ethanol, after cooling, crystallization, filtration, drying advanced Bronopol, the yield of above 70%, content is about 93%.

Bronopol (CAS NO.52-51-7) is a highly-toxic pesticide,burning will produce bromide and nitrogen oxides emitted toxic fumes.Besides should be stored and transported in low-temperature,drying environment. separately with oxidizing agents.Fire extinguishing agents water, carbon dioxide, dry powder, foam would be used if emergency.

Product Name

2-Bromo-2-nitro-1,3-propanediol

Synthetic route

2-Bromo-2-nitro-1,3-propanediol Chemical Properties

2-Bromo-2-nitro-1,3-propanediol Toxicity Data With Reference

2-Bromo-2-nitro-1,3-propanediol Safety Profile

2-Bromo-2-nitro-1,3-propanediol Specification

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