Dinocap

C₁₈H₂₈N₂O₆CAS 39300-45-3368.43 g/mol

Open in Covalent MOL file

Alkene Ester Nitro

Properties

Molecular formula: C₁₈H₂₈N₂O₆
Molar mass: 368.43 g/mol
Exact mass: 368.1947 Da
Density: 1.1 g/mL (at 20 °C)
Boiling point: 138–140 °C (at 0.05 Torr)
pKa: 12.7
Water solubility: sparingly soluble
logP: 5.59Crippen estimate
Polar surface area: 119.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 8
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H332 Harmful if inhaledAcute toxicity, inhalation
H360D *** May damage the unborn childReproductive toxicity
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 609-023-00-6), via PubChem.

Precautionary statements

P203, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

39300-45-3

SMILES

CCCCCCCC.C/C=C/C(=O)OC1=CC=CC=C1[N+](=O)[O-].N(=O)O

InChIKey

ZVJZHLVSRSKTNE-OPIVVEOKSA-N

InChI

InChI=1S/C10H9NO4.C8H18.HNO2/c1-2-5-10(12)15-9-7-4-3-6-8(9)11(13)14;1-3-5-7-8-6-4-2;2-1-3/h2-7H,1H3;3-8H2,1-2H3;(H,2,3)/b5-2+;;

Weigh it out

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

Names and synonyms

12 names

2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester
Karathane
Crotothane
Mildex
Carathane
DPC
DPC (pesticide)
Karathane 25
Caprane
Karathane FN 57
Karathane LC
Dicap

Work with Dinocap

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

1-(2-Nitrophenoxy)octane37682-29-454 % similar 1-Butoxy-2-nitrobenzene7252-51-950 % similar 1-Ethoxy-2-nitrobenzene610-67-345 % similar 2-Nitrophenoxyacetic acid1878-87-142 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-940 % similar O-Nitroanisole91-23-638 % similar Ethyl o-nitrobenzoate610-34-437 % similar p-Nitrophenyl palmitate1492-30-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook