Phthalane

C8H8OCAS 496-14-0120.15 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C8H8O
Molar mass
120.15 g/mol
Exact mass
120.0575 Da
Density
1.098 g/mL (at 0 °C)
Boiling point
192 °C
logP
1.72Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
496-14-0
SMILES
c1ccc2c(c1)COC2
InChIKey
SFLGSKRGOWRGBR-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

7 names
  • Isobenzofuran, 1,3-dihydro-
  • Phthalan
  • 1,3-Dihydroisobenzofuran
  • Isocoumaran
  • 2-Oxaindan
  • Dihydroisobenzofuran
  • 1,3-Dihydro-2-benzofuran

Work with Phthalane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isochroman493-05-065 % similar Dibenzyl ether103-50-453 % similar Bicyclo(4.1.0)hepta-1,3,5-triene4646-69-947 % similar 9,10-Dihydroanthracene613-31-047 % similar Benzocyclobutene694-87-147 % similar 3,4-Dihydro-1H-2-benzopyran-4-one20924-56-544 % similar 3-Isochromanone4385-35-742 % similar Phthalide87-41-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylbenzaldehyde104-87-0 Phenylacetaldehyde122-78-1 (+)-Styrene oxide20780-53-4 (S)-Styrene oxide20780-54-5 4-Vinylphenol2628-17-3 Dihydrobenzofuran496-16-2 2-Methylbenzaldehyde529-20-4 3-Methylbenzaldehyde620-23-5

Elsewhere

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