Tfm (piscicide)

C₇H₄F₃NO₃CAS 88-30-2207.11 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: 76 °C
pKa: 6.07
Water solubility: 5 g/L (25 °C)
logP: 2.32Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed19.2% of notifiers
H302 Harmful if swallowed80.8% of notifiers
H312 Harmful in contact with skin80.8% of notifiers
H315 Causes skin irritation98.1% of notifiers
H319 Causes serious eye irritation98.1% of notifiers
H332 Harmful if inhaled80.8% of notifiers
H335 May cause respiratory irritation96.2% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

88-30-2

SMILES

O=[N+]([O-])c1ccc(O)cc1C(F)(F)F

InChIKey

ZEFMBAFMCSYJOO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Phenol, 4-nitro-3-(trifluoromethyl)-
m-Cresol, α,α,α-trifluoro-4-nitro-
4-Nitro-3-(trifluoromethyl)phenol
Lamprecid
α,α,α-Trifluoro-4-nitro-m-cresol
3-(Trifluoromethyl)-4-nitrophenol
1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene
NSC 59758
5-Hydroxy-2-nitrobenzotrifluoride
4-Nitro-3-trifluoromethylphenol

Work with Tfm (piscicide)

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

5-Bromo-2-nitrobenzotrifluoride344-38-768 % similar 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-965 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-263 % similar 4-Nitro-3-(trifluoromethyl)aniline393-11-363 % similar 3-Fluoro-4-nitrophenol394-41-259 % similar 2-Nitro-alpha,alpha,alpha-trifluorotoluene384-22-558 % similar 4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride39234-83-856 % similar 4-Fluoro-3-nitrophenol2105-96-655 % 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 3-Hydroxy-5-nitrobenzotrifluoride349-57-5 2-Nitro-4-(trifluoromethyl)phenol400-99-7 4-(Trifluoromethoxy)nitrobenzene713-65-5

Elsewhere

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