2,4-Dinitro(trifluoromethoxy)benzene

C₇H₃F₃N₂O₅CAS 655-07-2252.11 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitro

Properties

Molecular formula: C₇H₃F₃N₂O₅
Molar mass: 252.11 g/mol
Exact mass: 251.9994 Da
logP: 2.40Crippen estimate
Polar surface area: 95.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Hazards

Danger

H300 Fatal if swallowed97.8% of notifiers
H311 Toxic in contact with skin13% of notifiers
H314 Causes severe skin burns and eye damage97.8% of notifiers
H413 May cause long lasting harmful effects to aquatic life84.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, P501

Identifiers

CAS number

655-07-2

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(F)(F)F

InChIKey

KYUUZCUXYXNPFO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F3N2O5/c8-7(9,10)17-6-2-1-4(11(13)14)3-5(6)12(15)16/h1-3H

Weigh it out

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

Names and synonyms

1 names

2,4-Dinitro-1-(trifluoromethoxy)benzene

Work with 2,4-Dinitro(trifluoromethoxy)benzene

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

2-Bromo-4-nitro(trifluoromethoxy)benzene200958-40-369 % similar 3-Nitro-4-(trifluoromethoxy)aniline2822-50-669 % similar 3-Nitro-4-(trifluoromethoxy)bromobenzene95668-20-569 % similar 2-(Trifluoromethoxy)nitrobenzene1644-88-865 % similar O-(2,4-Dinitrophenyl)hydroxylamine17508-17-762 % similar 2,4-Dinitroanisole119-27-761 % similar 4-(Trifluoromethoxy)nitrobenzene713-65-559 % similar Bis(2,4-dinitrophenyl) oxalate16536-30-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dinitro-4-(trifluoromethyl)phenol393-77-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook