2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate

C₁₄H₁₈N₂O₇CAS 973-21-7326.31 g/mol

Open in Covalent MOL file

Carbonate Nitro

Properties

Molecular formula: C₁₄H₁₈N₂O₇
Molar mass: 326.31 g/mol
Exact mass: 326.1114 Da
Melting point: 56–57 °C
logP: 3.94Crippen estimate
Polar surface area: 121.8 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
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 006-028-00-X), via PubChem.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number

973-21-7

SMILES

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

InChIKey

HDWLUGYOLUHEMN-UHFFFAOYSA-N

InChI

InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3

Weigh it out

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

Names and synonyms

16 names · show all

Carbonic acid, 1-methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl ester
Carbonic acid, 2-sec-butyl-4,6-dinitrophenyl isopropyl ester
2,4-Dinitro-6-sec-butylphenyl-isopropylcarbonate
Dinobuton
Isopropyl 2,4-dinitro-6-sec-butylphenyl carbonate
UC 19786
Union carbide 19786
Dessin
Kasebon
2,4-Dinitro-6-sec-butylphenyl-O-isopropyl carbonate
Acrex
MC 1053
Drawinol
Isophen
Isophen (pesticide)
Akrex

Work with 2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate

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

Dinoseb acetate2813-95-873 % similar Binapacryl485-31-466 % similar Dinoseb88-85-756 % similar Ethyl bis(2,4-dinitrophenyl)acetate5833-18-141 % similar Trinitroanisole606-35-940 % similar Bis(2,4-dinitrophenyl) oxalate16536-30-435 % similar TNT118-96-735 % similar 2,4,6-Trinitrobenzoic acid129-66-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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