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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
 

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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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,1-2H2

InChIKey

LVDKZNITIUWNER-UHFFFAOYSA-N

Smiles

OCC(Br)(CO)[N+](=O)[O-]

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.