1-Indanone
- Iupac Name：2,3-dihydroinden-1-one
- CAS No.: 83-33-0
- Molecular Weight：132.15922
- Modify Date.: 2022-11-29 04:23
- Introduction: 1-Indanone is an oxidation product of Indan, a component of fuels, solvents, and varnishes. 1-Indanone is also a metabolite of Thalidomide that has been shown to inhibit the attachment of tumor cells to concanavalin A coated plastic surfaces.
View more+
1. Names and Identifiers
- 1.1 Name
- 1-Indanone
- 1.2 Synonyms
1,3-dihydro-1-oxo-2H-indene 1,3-Indanone 1H-Inden-1-one, 2,3-dihydro- 1-INDENONE 1-Indone 1-oxo-2,3,dihydroinden 1-OXOINDAN 1-oxo-indane 2,3-dihydro-1-1H-indenone 2,3-dihydro-1h-inden-1-on 2,3-Dihydro-1-indanone 2,3-Dihydro-1-indenone 4-fluorosulfonylbenzoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester hydrochloride A-HYDRINDONE alpha-Indanone cis-indanone Dihydro-1-indenone EINECS 201-470-1 IDO I-Indanone Indan-1-on Indan-1-one INDANONE Indanone (VAN) Indone MFCD00003785
- 1.3 CAS No.
- 83-33-0
- 1.4 CID
- 6735
- 1.5 EINECS(EC#)
- 201-470-1
- 1.6 Molecular Formula
- C9H8O (isomer)
- 1.7 Inchi
- InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
- 1.8 InChkey
- QNXSIUBBGPHDDE-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1CC(=O)C2=CC=CC=C21
- 1.10 Isomers Smiles
- C1CC(=O)C2=CC=CC=C21
2. Properties
- 2.1 Density
- 1.1
- 2.1 Melting point
- 38-42℃
- 2.1 Boiling point
- 243-245℃
- 2.1 Refractive index
- 1.561 (25 C)
- 2.1 Flash Point
- 111℃
- 2.1 Precise Quality
- 132.05800
- 2.1 PSA
- 17.07000
- 2.1 logP
- 1.81550
- 2.1 Solubility
- 6.5g/l
- 2.2 Appearance
- Light yellow to brown Crystalline Mass
- 2.3 Storage
- Ambient temperatures.
- 2.4 Chemical Properties
- Pale yellow liquid
- 2.5 Color/Form
- Powder
- 2.6 Odor Threshold
- 0.0088ppm
- 2.7 Water Solubility
- H2O: 6.5 g/L (20 C)
- 2.8 Stability
- Stable under normal temperatures and pressures.
- 2.9 StorageTemp
- Store below +30°C.
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: An indanone that consists of 2,3-dihydro-1H-indene substituted by an oxo group at position 1.
- 3.2 Methods of Manufacturing
- The dried hydrogen chloride was passed into freshly steamed indene, the temperature was kept at 5-10°C, the reaction required 8-10h, the reaction product was distilled under reduced pressure, and 90-103 (1.73kPa) was collected to obtain α-chlorodihydroindene.?It is oxidized with chromium trioxide in glacial acetic acid, and the temperature is kept at 35-40°C, that is, dihydro-1-indanone is formed.?The yield is 50%-60%.
- 3.3 Usage
- 1-Indanone is an oxidation product of Indan, a component of fuels, solvents, and varnishes. 1-Indanone is also a metabolite of Thalidomide that has been shown to inhibit the attachment of tumor cells to concanavalin A coated plastic surfaces.
4. Safety and Handling
- 4.1 Hazard Codes
- Xn
- 4.1 Risk Statements
- R22
- 4.1 Safety Statements
- 22-24/25-36-26
- 4.1 Packing Group
- II; III
- 4.1 Hazard Class
- 4.1
- 4.1 Hazard Declaration
- H302
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
- 4.1 WGK Germany
- 3
- 4.1 Safety
-
Safety Information about?1-Indanone (CAS NO.83-33-0):
Hazard Codes:?
Xn,Xi
Risk Statements: 22-36/37/38?
R22: Harmful if swallowed.?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26?
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29143900
- 4.2 Specification
-
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.?
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
83-33-0Total: 59 Synthesis Route
9. Other Information
- 9.0 BRN
- 507957
- 9.1 Chemical Properties
- Pale yellow liquid
- 9.2 Uses
- 1-Indanone is an oxidation product of Indan, a component of fuels, solvents, and varnishes. 1-Indanone is also a metabolite of Thalidomide that has been shown to inhibit the attachment of tumor cells to concanavalin A coated plastic surfaces.
- 9.3 Definition
- ChEBI: An indanone that consists of 2,3-dihydro-1H-indene substituted by an oxo group at position 1.
- 9.4 Synthesis Reference(s)
- The Journal of Organic Chemistry, 54, p. 1144, 1989 DOI: 10.1021/jo00266a028
Journal of the American Chemical Society, 99, p. 4822, 1977 DOI: 10.1021/ja00456a048
Tetrahedron Letters, 27, p. 3139, 1986 DOI: 10.1016/S0040-4039(00)84736-X
- 9.5 Usage
- 1-Indanone is an oxidation product of indan, a component of fuels, solvents and varnishes. 1-Indanone is also a metabolite of Thalidomide that has been shown to inhibit the attachment of tumor cells to concanavalin A coated plastic surfaces.
- 9.6 Storage Conditions
- The dried hydrogen chloride was passed into freshly steamed indene, the temperature was kept at 5-10°C, the reaction required 8-10h, the reaction product was distilled under reduced pressure, and 90-103 (1.73kPa) was collected to obtain α-chlorodihydroindene.?It is oxidized with chromium trioxide in glacial acetic acid, and the temperature is kept at 35-40°C, that is, dihydro-1-indanone is formed.?The yield is 50%-60%.
- 9.7 Mesh
- Agents that promote the excretion of urine through their effects on kidney function. (See all compounds classified as Diuretics.)|Gout suppressants that act directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma. (See all compounds classified as Uricosuric Agents.)
- 9.8 Mesh Entry Terms
- indacrinic acid
- 9.9 Manufacturing Info
- 1H-Inden-1-one, 2,3-dihydro-: ACTIVE
10. Computational chemical data
- Molecular Weight: 132.15922g/mol
- Molecular Formula: C9H8O
- Compound Is Canonicalized: True
- XLogP3-AA: 1.7
- Exact Mass: 132.057514874
- Monoisotopic Mass: 132.057514874
- Complexity: 151
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 17.1
- Heavy Atom Count: 10
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwIAAAAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAGABAAAAGgAAAAAADASAmAAwAIAAAACIAqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiICOgAAAAAAQAAAAAAAAACAAAAAACAAAAA==
11. Recommended Suppliers
-
- Products:Cosmetic Raw Materials,solvents,etc.
- Tel:86-311-66562153
- Email:breeduan@crovellbio.com
-
- Products:API,fine chemical&its intermediates,biological chemistry
- Tel:0086-27-59207850
- Email:info@fortunachem.com
-
- Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
- Tel:86-592-8883942
- Email:sale@amitychem.com
-
- Products:o-Phthalaldehyde, Methoxyammonium chloride. DMSO, NMP,
- Tel:86-592-5360779
- Email:sales@luyunjiachem.com
-
- Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
- Tel:86-25-83697070
- Email:sales@chemlin.com.cn
12. Realated Product Infomation
-120YR
skype
