3-Hydroxy-5-nitrobenzotrifluoride

C₇H₄F₃NO₃CAS 349-57-5207.11 g/mol

Open in Covalent MOL file

Alkyl halide Nitro Phenol

Properties

Molecular formula: C₇H₄F₃NO₃
Molar mass: 207.11 g/mol
Exact mass: 207.0143 Da
Melting point: 92 °C
logP: 2.32Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled12.5% of notifiers
H302 Harmful if swallowed87.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

349-57-5

SMILES

O=[N+]([O-])c1cc(O)cc(C(F)(F)F)c1

InChIKey

JDIAMHNYAPDMRB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-5(11(13)14)3-6(12)2-4/h1-3,12H

Weigh it out

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

Names and synonyms

5 names

3-(Trifluoromethyl)-5-nitrophenol
Phenol, 3-nitro-5-(trifluoromethyl)-
m-Cresol, α,α,α-trifluoro-5-nitro-
3-Nitro-5-(trifluoromethyl)phenol
3-Nitro-5-trifluoromethylphenol

Work with 3-Hydroxy-5-nitrobenzotrifluoride

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-Nitro-3,5-bis(trifluoromethyl)benzene328-75-674 % similar Alpha,alpha,alpha-Trifluoro-3,5-dinitrotoluene401-99-074 % similar 3-Chloro-5-nitrobenzotrifluoride401-93-462 % similar 3-Nitro-5-(trifluoromethyl)aniline401-94-562 % similar 3-Bromo-5-nitrobenzotrifluoride630125-49-462 % similar 3-Nitro-5-(trifluoromethyl)benzoic acid328-80-360 % similar 3-Methoxy-5-nitrobenzotrifluoride328-79-057 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-157 % similar

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

Same formula

2-(Trifluoromethoxy)nitrobenzene1644-88-8 2-Hydroxy-6-(trifluoromethyl)nicotinicacid191595-63-8 3-Nitro-4-(trifluoromethyl)phenol25889-36-5 1-Nitro-3-(trifluoromethoxy)benzene2995-45-1 2-Nitro-4-(trifluoromethyl)phenol400-99-7 4-(Trifluoromethoxy)nitrobenzene713-65-5 Tfm (piscicide)88-30-2

Elsewhere

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