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615-13-4

Basic Information
CAS No.: 615-13-4
Name: 2-Indanone
Article Data: 145
Molecular Structure:
Molecular Structure of 615-13-4 (2-Indanone)
Formula: C9H8O
Molecular Weight: 132.162
Synonyms: 2-Indanone(7CI,8CI);1,3-Dihydro-2H-inden-2-one;
EINECS: 210-410-3
Density: 1.148 g/cm3
Melting Point: 51-54 °C(lit.)
Boiling Point: 248.9 °C at 760 mmHg
Flash Point: 100 °C
Solubility: insoluble in water
Appearance: Wet crystalline aggregates
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-36-26
PSA: 17.07000
LogP: 1.35430
Synthetic route
113388-65-1

Formic acid 1H-inden-2-yl ester

615-13-4

2-indanone

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran; water for 7h; Ambient temperature;98%
95-13-6

1-indene

615-13-4

2-indanone

Conditions
ConditionsYield
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%
768-22-9

2,3-epoxyindene

615-13-4

2-indanone

Conditions
ConditionsYield
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%
Conditions
ConditionsYield
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

C8H8*C3FeO3

615-13-4

2-indanone

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With 8-isopropyl-quinoline-N-oxide; [Au(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(NTf2)] In fluorobenzene at 60℃;90%

triethyl(3-phenylprop-1-yn-1-yl)silane

615-13-4

2-indanone

Conditions
ConditionsYield
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
ConditionsYield
With 8-isopropyl-quinoline-N-oxide; [Au(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(NTf2)] In fluorobenzene at 60℃;90%
95-13-6

1-indene

A

63440-60-8

2-(o-tolyl)-2-oxo-ethanale

B

615-13-4

2-indanone

Conditions
ConditionsYield
With nitrobenzene In acetonitrile for 24h;A 85%
B 9%
With p-nitrobenzene iodide In acetonitrile for 18h;A 40%
B 50%
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    2-Indanone Basic information Product Name: 2-Indanone Synonyms: 1,3-dihydro-2h-inden-2-on;1,3-Dihydro-2H-inden-2-one;2H-Inden-2-one,1,3-dihydro-;2-Hydrindone;2-Oxohydrindene;2-INDANONE;INDANONE(2-);Indan-2-one CAS: 615-13-4 MF: C9H8O MW:

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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.

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,