Dinoseb acetate

C₁₂H₁₄N₂O₆CAS 2813-95-8282.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₄N₂O₆
Molar mass: 282.25 g/mol
Exact mass: 282.0852 Da
Melting point: 26 °C
Boiling point: 170 °C (at 4 Torr)
Flash point: 100 °C
Water solubility: 2.2 g/L (20 °C)
logP: 2.94Crippen estimate
Polar surface area: 112.6 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H360 May damage fertility or the unborn child97.4% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P262, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P316, P318, P321, P330, P337+P317, P361+P364, P391, P405, P501

Identifiers

CAS number

2813-95-8

SMILES

CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O

InChIKey

RDJTWDKSYLLHRW-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

Ivosit
Phenol, 2-(1-methylpropyl)-4,6-dinitro-, 1-acetate
Phenol, 2-sec-butyl-4,6-dinitro-, acetate (ester)
Phenol, 2-(1-methylpropyl)-4,6-dinitro-, acetate (ester)
Phenol, 2-sec-butyl-4,6-dinitro-, acetate
4,6-Dinitro-2-sec-butylphenyl acetate
2-(1-Methylpropyl)-4,6-dinitrophenyl acetate
Aretit
4,6-Dinitro-2-sec-butyl-phenolacetate
2,4-Dinitro-6-sec-butylphenyl acetate
2-sec-Butyl-4,6-dinitrophenyl acetate

Work with Dinoseb acetate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Binapacryl485-31-474 % similar 2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate973-21-773 % similar Dinoseb88-85-760 % similar 4-Nitrophenyl acetate830-03-544 % similar Ethyl bis(2,4-dinitrophenyl)acetate5833-18-144 % similar Trinitroanisole606-35-944 % similar p-Nitrobenzylacetate619-90-939 % similar Bis(2,4-dinitrophenyl) oxalate16536-30-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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