Tetralin hydroperoxide

C₁₀H₁₂O₂CAS 771-29-9164.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O₂
Molar mass: 164.20 g/mol
Exact mass: 164.0837 Da
logP: 2.55Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H242 Heating may cause a fireSelf-reactive substances and mixtures; Organic peroxides
H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
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 617-004-00-9), via PubChem.

Precautionary statements

P210, P234, P235, P240, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P391, P403, P405, P410, P411, P420, P501

Identifiers

CAS number

771-29-9

SMILES

C1CC(C2=CC=CC=C2C1)OO

InChIKey

YWBMNCRJFZGXJY-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2

Weigh it out

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

Names and synonyms

16 names · show all

1-Hydroperoxy-1,2,3,4-tetrahydronaphthalene
Tetralinhydroperoxid
1,2,3,4-Tetrahydro-1-naphthyl hydroperoxide
Tetralinehydroperoxyde
Tetralinhydroperoxid [german]
Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthalenyl
Tetralinehydroperoxyde [dutch]
Hydroperoxyde de tetraline
Idroperossido di tetralina
Hydroperoxyde de tetraline [French]
Idroperossido di tetralina [Italian]
Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl-
1,2,3,4-Tetrahydro-1-naphthalenyl hydroperoxide
Tetralin peroxide
Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl
1,2,3,4-Tetrahydro-1-hydroperoxynaphthalene

Reactions

TETRALIN HYDROPEROXIDE (Hydroperoxide, (1,2,3,4-tetrahydro-1-naphthyl)-)product

Work with Tetralin hydroperoxide

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

1,2,3,4-Tetrahydro-1-naphthylamine2217-40-555 % similar (R)-(-)-1,2,3,4-Tetrahydro-1-naphthol23357-45-155 % similar (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-255 % similar (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-055 % similar 1-Tetralol529-33-955 % similar (S)-(+)-1,2,3,4-Tetrahydro-1-naphthol53732-47-155 % similar 1-Chloro-1,2,3,4-tetrahydronaphthalene113110-47-750 % similar 1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride49800-23-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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