Bronopol
Properties
- Molecular formula
- C3H6BrNO4
- Molar mass
- 199.99 g/mol
- Exact mass
- 198.9480 Da
- Density
- 1.1 g/mL
- Melting point
- 131.5 °C
- Boiling point
- 151.7 °C
- Flash point
- 167 °C
- Water solubility
- 280 g/L (23 °C)
- logP
- -0.66Crippen estimate
- Polar surface area
- 83.6 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI, index 603-085-00-8), via PubChem.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
52-51-7SMILES
O=[N+]([O-])C(Br)(CO)COInChIKey
LVDKZNITIUWNER-UHFFFAOYSA-NInChI
InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
38 names · show all
- 1,3-Propanediol, 2-bromo-2-nitro-
- 2-Bromo-2-nitro-1,3-propanediol
- 2-Bromo-2-nitropropan-1,3-diol
- Onyxide 500
- Bronocot
- 2-Nitro-2-bromo-1,3-propanediol
- Bronidiol
- Myacide AS
- Nalco 92RU093
- Canguard 409
- BNPK
- N 25
- N 25 (Antimicrobial)
- Myacide BT
- Bactrinol 100
- Bioban
- Myacide pharma BP
- Ultra-fresh SAB
- NSC 141021
- BNPD
- Pyceze
- BE 6
- BE 6 (bactericide)
- Topcide 2520
- 2-Bromo-2-nitropropane-1,3-diol
- Bronotak
- Acticide L 30
- Myacide AS plus
- Bioban BP plus
- Protectol BN 98
- Protectol BN 99
- Preventol P 100
- Bactronol
- Busan 1144
- Bactrinashak
- Bioban BP 40
- Bioban BP 10
- Protectol BN
Work with Bronopol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2-Dibromo-2-nitroethanol69094-18-462 % similar
Tris(hydroxymethyl)nitromethane126-11-456 % similar
2-Methyl-2-nitro-1,3-propanediol77-49-656 % similar
Bronidox30007-47-752 % similar
2-Bromo-2-nitropropane5447-97-239 % similar
Tetranitromethane509-14-838 % similar
2,2,4-Trimethyl-4-nitropentane5342-78-935 % similar
Dmdnb3964-18-933 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds