5-Hydroxy-1-indanone
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Basic information
- CAS
3470-49-3- Standard SMILES
O=C1CCc2cc(O)ccc21- InChIKey
ZRKQOVXGDIZYDS-UHFFFAOYSA-N- Molecular formula
- C9H8O2
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.05242949
Names & identifiers
- Preferred name
- 5-Hydroxy-1-indanone
- IUPAC
- 5-hydroxy-2,3-dihydroinden-1-one
- English name
- 5-Hydroxy-1-indanone
- Molecular formula
- C9H8O2
- Molecular weight
- 148.16
Names & synonyms
5-Hydroxy-1-indanoneDTXSID70283404RefChem:536149DTXCID50234555627-457-43470-49-35-hydroxy-2,3-dihydro-1H-inden-1-one5-hydroxyindan-1-one5-Hydroxyindanone5-hydroxy-2,3-dihydroinden-1-one1-oxo-5-indanol1H-Inden-1-one, 2,3-dihydro-5-hydroxy-
Show more names
5-hydry-1-indanoneIFLAB-BB F2108-01445-Hydroxyl-1-indanone5-Hydroxy-1-indanone>5-Hydroxy-1-indanone 95%5-Hydroxyindan-1-one 97%
MFCD008575275-Hydroxy-1-i5-hydroxy-2,3-dihydro-1H-indene-1-one5-hydroxy-indan-1-one1-Indanone, 5-hydroxy-2,3-Dihydro-5-hydroxy-1H-inden-1-one5-Hydroxy-1-indanone, 95%AKOS005207246
Database identifiers
- CAS
3470-49-3- PubChem CID
- 233147
- DTXSID
DTXSID70283404- EC Number
- 627-457-4
- Nikkaji
- J20.945G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 175 °C · 175 °C (dec.) (lit.)
- Boiling point
- 251 °C · 251 °C
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 8.15 · 8.15±0.20(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2
- InChIKey
- ZRKQOVXGDIZYDS-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(O)C=C2)CC1
- CAS DataBase Reference
- 3470 · 3470-49-3(CAS DataBase Reference)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29145090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39-27
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Hydroxy-1-indanone may be used in the preparation of (5-hydroxy-indan-(1E)-ylidene)-acetic acid and 5-[2-(phenyl)ethoxy]-1-indanone. It may be used as a starting material in the multi-step synthesis of 5H-indeno[1,2-c]pyridazin-5-one analogs.
General Description5-Hydroxy-1-indanone is a 1-indanone derivative.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
66 records
Compound notes
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