Nitrofen

C₁₂H₇Cl₂NO₃CAS 1836-75-5284.09 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₁₂H₇Cl₂NO₃
Molar mass: 284.09 g/mol
Exact mass: 282.9803 Da
Density: 1.33 g/mL (at 90 °C)
Melting point: 70–71 °C
Boiling point: 180–190 °C (at 0.25 Torr)
Flash point: 200 °C (closed cup)
Water solubility: 1 mg/L (22 °C)
logP: 4.69Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H350 May cause cancerCarcinogenicity
H360D *** May damage the unborn childReproductive toxicity
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 609-040-00-9), via PubChem.

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

Identifiers

CAS number

1836-75-5

SMILES

O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1

InChIKey

XITQUSLLOSKDTB-UHFFFAOYSA-N

InChI

InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H

Weigh it out

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

Names and synonyms

26 names · show all

Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-
Ether, 2,4-dichlorophenyl p-nitrophenyl
2,4-Dichloro-1-(4-nitrophenoxy)benzene
2,4-Dichlorophenyl p-nitrophenyl ether
FW 925
2,4-Dichloro-4′-nitrodiphenyl ether
NIP
Nitrophen
Nitrophene
TOK E 25
TOK (ether)
2,4-Dichlorophenyl 4-nitrophenyl ether
4-(2,4-Dichlorophenoxy)nitrobenzene
4-Nitro-2′,4′-dichlorophenyl ether
4′-Nitro-2,4-dichlorodiphenyl ether
TOK E
Niclofen
Nitrochlor
Mezotox
Preparation 125
TOK E 40
Nitrofen (pesticide)
Trizilin
2′,4′-Dichloro-4-nitrodiphenyl ether
Trizilin 25
TOK

Work with Nitrofen

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

4-(2,4-Dichlorophenoxy)aniline14861-17-757 % similar Bifenox42576-02-357 % similar 4-Nitrochlorobenzene100-00-556 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-356 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-053 % similar 2,4-Dichloronitrobenzene611-06-353 % similar 4-(4-Nitrophenoxy)benzenamine6149-33-351 % similar 1-Nitro-4-phenoxybenzene620-88-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4′-Dichloro-4-nitrodiphenyl ether22544-07-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia