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Substance Name: Bronopol [INN:BAN:JAN]
RN: 52-51-7
UNII: 6PU1E16C9W
InChIKey: LVDKZNITIUWNER-UHFFFAOYSA-N
Note
- Nitrosating reagent for diethanolamine.
Molecular Formula
- C3-H6-Br-N-O4
Molecular Weight
- 199.9874
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Agricultural Chemical
- Anti-Infective Agents
- Anti-Infective Agents, Local
- Antimicrobial
- Drug / Therapeutic Agent
- Fungicide, Bactericide, Wood Preservative
- Germicide, Bactericide, Disinfectant
- Indicators and Reagents
- Skin / Eye Irritant
- Slimicide
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Other Resources (Internet Locators)
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Names and Synonyms
Name of Substance
- 1,3-Propanediol, 2-bromo-2-nitro-
- 2-Bromo-2-nitropropane-1,3-diol
- Bronopol
- Bronopol [INN:BAN:JAN]
Synonyms
- 2-Bromo-2-nitropropane-1,3-diol
- 2-Nitro-2-bromo-1,3-propanediol
- 4-01-00-02501 (Beilstein Handbook Reference)
- AI3-61639
- beta-Bromo-beta-nitrotrimethyleneglycol
- BRN 1705868
- Bronidiol
- Bronocot
- Bronopol
- Bronopolu
- Bronopolu [Polish]
- Bronopolum
- Bronopolum [INN-Latin]
- Bronosol
- Bronotak
- Caswell No. 116A
- EC 200-143-0
- EINECS 200-143-0
- EPA Pesticide Chemical Code 216400
- HSDB 7195
- Lexgard bronopol
- NSC 141021
- Onyxide 500
- UNII-6PU1E16C9W
Systematic Names
- 1,3-Propanediol, 2-bromo-2-nitro-
- 2-Bromo-2-nitro-1,3-propanediol
- Bronopol
Superlist Names
- 2-Bromo-2-nitropropane-1,3-diol
- 2-Bromo-2-nitropropane-1,3-diol [UN3241] [Flammable Solid]
- Bronopol
- UN3241
Registry Numbers
CAS Registry Number
- 52-51-7
FDA UNII
- 6PU1E16C9W
Other Registry Numbers
- 1135443-73-0
- 133248-96-1
- 179733-60-9
System Generated Number
- 0000052517
Structure Descriptors
InChI
InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2InChIKey
LVDKZNITIUWNER-UHFFFAOYSA-NSmiles
OCC(Br)Toxicity
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) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1029, 1974. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 131.5 | deg C | EXP | |
log P (octanol-water) | -0.640 | (none) | EST | |
Water Solubility | 2.50E+05 | mg/L | 22 | EXP |
Vapor Pressure | 1.26E-05 | mm Hg | 20 | EXP |
Henry's Law Constant | 1.33E-11 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.33E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.