- 2-Indanone
- 2-Indanone oxime
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Cas Database |
| Name |
2-Indanone |
EINECS | 210-410-3 |
| CAS No. | 615-13-4 | Density | 1.148 g/cm3 |
| PSA | 17.07000 | LogP | 1.35430 |
| Solubility | insoluble in water | Melting Point |
51-54 °C(lit.) |
| Formula | C9H8O | Boiling Point | 248.9 °C at 760 mmHg |
| Molecular Weight | 132.162 | Flash Point | 100 °C |
| Transport Information | N/A | Appearance | Wet crystalline aggregates |
| Safety | 22-24/25-36-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Indanone(7CI,8CI);1,3-Dihydro-2H-inden-2-one; |
Article Data | 145 |
2-Indanone Synthetic route
- 113388-65-1
Formic acid 1H-inden-2-yl ester
- 615-13-4
2-indanone
| Conditions | Yield |
|---|---|
| With hydrogenchloride In tetrahydrofuran; water for 7h; Ambient temperature; | 98% |
| Conditions | Yield |
|---|---|
| With oxygen; cobalt(II) acetate; isobutyraldehyde In acetonitrile at 60℃; for 1h; | 97% |
| Stage #1: 1-indene With dihydrogen peroxide; acetic anhydride; acetic acid at 40 - 55℃; for 14h; Green chemistry; Stage #2: With sulfuric acid In water at 5 - 50℃; for 3h; Green chemistry; | 97.1% |
| With chloropyridinecobaloxime(III); water; 9-(2-mesityl)-10-methylacridinium perchlorate In acetonitrile at 20℃; for 24h; Wacker Oxidation; Inert atmosphere; Schlenk technique; Irradiation; regioselective reaction; | 80% |
| Conditions | Yield |
|---|---|
| With Dowex-50W In water for 0.5h; Heating; | 95% |
| With pentacarbonyliron In benzene for 3h; Irradiation; | 85% |
| With indium(III) chloride In tetrahydrofuran at 25℃; for 0.75h; Rearrangement; | 85% |
- 615-13-4
2-indanone
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In benzene for 0.25h; Heating; | 95% |
| With sulfuric acid | |
| Multi-step reaction with 2 steps 1: thionyl chloride; pyridine / benzene / 3 h 2: acetonitrile / 2 h / Irradiation; Inert atmosphere View Scheme |
- 615-13-4
2-indanone
| Conditions | Yield |
|---|---|
| With ammonium cerium(IV) nitrate In acetone for 3.66667h; reag. added in three portions; | 90% |
- 12181-95-2
(orthoquinodimethane)tricarbonyliron
- 615-13-4
2-indanone
| Conditions | Yield |
|---|---|
| With ammonium cerium(IV) nitrate In acetone anh. (NH4)2Ce(NO3)6 was added portionwise to a stirred soln. of (C8H8)Fe(CO)3 in anh. acetone (after 50 min and 70 min), after 100 min of reaction addn. of H2O, mixture was extracted with CH2Cl2 (4 times), extract was dried (MgSO4), solvent evaporation;; filtration through a short column of silica gel; white crystals with m.p. 54-55°C were obtained;; | 90% |
- 31683-47-3
1-(trimethylsilyl)-3-phenylprop-1-yne
- 615-13-4
2-indanone
| Conditions | Yield |
|---|---|
| With 8-isopropyl-quinoline-N-oxide; [Au(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(NTf2)] In fluorobenzene at 60℃; | 90% |
- 615-13-4
2-indanone
| Conditions | Yield |
|---|---|
| With 8-isopropyl-quinoline-N-oxide; [Au(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(NTf2)] In fluorobenzene at 60℃; | 90% |
- 79275-63-1
dimethyl(phenyl)(3-phenylprop-1-yn-1-yl)silane
- 615-13-4
2-indanone
| Conditions | Yield |
|---|---|
| With 8-isopropyl-quinoline-N-oxide; [Au(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(NTf2)] In fluorobenzene at 60℃; | 90% |
| Conditions | Yield |
|---|---|
| With nitrobenzene In acetonitrile for 24h; | A 85% B 9% |
| With p-nitrobenzene iodide In acetonitrile for 18h; | A 40% B 50% |
2-Indanone Consensus Reports
Stability: Stable under normal temperatures and pressures.
Storage：Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling：Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation
First Aid Measures:
Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation: Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
2-Indanone Specification
The 2-Indanone, with the CAS registry number 615-13-4,is also known as Indan-2-one. It belongs to the product categories of Indane/Indanone and Derivatives;Indanone & Indene. This chemical's molecular formula is C9H8O and molecular weight is 132.16. Its EINECS number is 210-410-3.What's more,Its systematic name is Indan-2-one.It is a Wet crystalline aggregates.The 2-Indanone is irritating to eyes, respiratory system and skin.When you use it ,wear suitable protective clothing ,avoid contact with skin and eyes,and do not breathe dust.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
Physical properties about 2-Indanone are:
(1)ACD/LogP: 2.4; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.40; (4)ACD/LogD (pH 7.4): 2.40; (5)ACD/BCF (pH 5.5): 39.28; (6)ACD/BCF (pH 7.4): 39.28; (7)ACD/KOC (pH 5.5): 481.64; (8)ACD/KOC (pH 7.4): 481.64; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 38.558 cm3; (14)Molar Volume: 115.022 cm3; (15)Surface Tension: 44.867000579834 dyne/cm; (16)Density: 1.149 g/cm3; (17)Flash Point: 100 °C; (18)Enthalpy of Vaporization: 48.613 kJ/mol; (19)Boiling Point: 248.918 °C at 760 mmHg; (20)Vapour Pressure: 0.0240000002086163 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C2Cc1ccccc1C2;
(2)Std. InChI:InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2;
(3)Std. InChIKey:UMJJFEIKYGFCAT-UHFFFAOYSA-N.
The toxicity data of 2-Indanone:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08390, |
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