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| CAS No.: | 52-51-7 |
|---|---|
| Name: | 2-Bromo-2-nitro-1,3-propanediol |
| Molecular Structure: | |
|
|
|
| Formula: | C3 H6BrNO4 |
| Molecular Weight: | 199.989 |
| 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; |
| EINECS: | 200-143-0 |
| Density: | 2.018 g/cm3 |
| Melting Point: | 130- 133°C |
| Boiling Point: | 358 °C at 760 mmHg |
| Flash Point: | 170.3 °C |
| Solubility: | 25 g/100 mL (22 °C) in water |
| Appearance: | off-white crystalline powder |
| Hazard Symbols: |
 Xn,  N
|
| Risk Codes: | 21/22-37/38-41-50 |
| Safety: | 26-37/39-61 |
| Transport Information: | UN 3241 4.1/PG 3 |
| PSA: | 86.28000 |
| LogP: | -0.13790 |
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- 52-51-7
2-bromo-2-nitro-1,3-propanediol
| Conditions | Yield |
|---|---|
| With bromine In diethyl ether at 0℃; for 0.5h; | 88.6% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 44 - 55℃; pH=5.3 - 7.2; Product distribution / selectivity; | 76.8% |
| Conditions | Yield |
|---|---|
| With alkali hypobromite und nachfolgender Zusatz von Brom; |
- 126-11-4
2-hydroxymethyl-2-nitro-propane-1,3-diol
A
- 52-51-7
2-bromo-2-nitro-1,3-propanediol
B
- 464-10-8
bromopicrin
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 52-51-7
2-bromo-2-nitro-1,3-propanediol
| Conditions | Yield |
|---|---|
| With chloroform; bromine |
- 52-51-7
2-bromo-2-nitro-1,3-propanediol
| Conditions | Yield |
|---|---|
| With bromine |
- 52-51-7
2-bromo-2-nitro-1,3-propanediol
| 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 | Yield |
|---|---|
| With sodium; phenylmethanethiol In methanol for 1h; | A 99% B 48% |
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Chemistry
Molecular Structure of Bronopol (CAS NO.52-51-7):
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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
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. |
Safety Profile
Hazard Codes 
Xn,
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.
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.
