bronopol

Identification (Source:EPA,EU)

ID 339
Name bronopol
CAS 52-51-7
IUPAC 2-bromo-2-nitropropane-1,3-diol
Inchi InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2
CIPAC 8037
EPA Code 216400
Formula C3H6BrNO4
SMILES OCC([N+]([O-])=O)(Br)CO
Status Not Approved

Classification

Mode of Action Inhibition of dehydrogenase activity causes membrane damage
Pesticide Type Bactericide, Fungicide, Veterinary treatment
Chemical Group Unclassified
Classification Bactericides

Properties (Source:PubChem)

Molecular Weight 200.0
Physical State Colourless to pale yellow/brown solid
AlogP 0.056
H-Bond Donor 2
H-Bond Acceptor 4
Surface Area 167.24
Polar Surface Area 86.28

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Aquatic crustaceans Acute 96 hour LC50 5.9 mg l-1
Aquatic invertebrates Acute 48 hour EC50 1.4 mg l-1
Birds Acute LD50 510 mg kg-1
Fish Acute 96 hour LC50 20 mg l-1
Mammals Acute oral LD50 254 mg kg-1
Mammals Short term dietary NOEL 1000 ppm diet
Bio-concentration factor BCF 0.28
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
CG 2 31(0,1,1,1) Details
K100 18(0,0,3,3) Details
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