1-Hydroxy-6-(trifluoromethyl)benzotriazole

C7H4F3N3OCAS 26198-21-0203.12 g/mol

Open in Covalent MOL file
FFFNNNOH
Alkyl halide

Properties

Molecular formula
C7H4F3N3O
Molar mass
203.12 g/mol
Exact mass
203.0306 Da
logP
1.69Crippen estimate
Polar surface area
50.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Danger
Explosive (GHS01)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P372+P380+P373, P403, P403+P233, P405, P410, P411, P420, P501

Identifiers

CAS number
26198-21-0
SMILES
C1=CC2=C(C=C1C(F)(F)F)N(N=N2)O
InChIKey
DGIBHCWBCOAPDN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H

Weigh it out

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

Work with 1-Hydroxy-6-(trifluoromethyl)benzotriazole

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

6-Chloro-1-hydroxy-1H-benzotriazole26198-19-653 % similar Hydroxybenzotriazole2592-95-247 % similar 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-943 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-143 % similar 1-Hydroxybenzotriazole hydrate80029-43-243 % similar 2-Fluoro-4-(trifluoromethyl)pyridine118078-66-341 % similar 4-Chloro-6-(trifluoromethyl)quinoline49713-56-640 % similar 2-Hydroxy-4-(trifluoromethyl)pyridine50650-59-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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