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1-Indanone

1-Indanone structure

CAS No:
83-33-0
Formula:
C9H8O
Chemical Name:
1-Indanone
Synonyms:
1H-Inden-1-one,2,3-dihydro-;1-Indanone;Indanone;2,3-Dihydro-1H-inden-1-one;α-Hydrindone;1-Indone;α-Indanone;2,3-Dihydro-1-indenone;NSC 2581;1H-Indan-1-one;1-Oxobenzocyclopentane
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Pale yellow liquid

Solid

Indan-1-one is an indanone that consists of 2,3-dihydro-1H-indene substituted by an oxo group at position 1.

1-Indanone Basic Attributes

Molecular Weight：

132.16

Exact Mass：

132.16

BRN：

507957

EC Number：

201-470-1

UNII：

V7021Y717I

NSC Number：

2581

DSSTox ID：

DTXSID1058892

HScode：

29143900

Characteristics

PSA：

17.1

XLogP3：

1.7

Appearance：

Light yellow to brown Crystalline Mass

Density：

1.1±0.1 g/cm3

Melting Point：

42 °C

Boiling Point：

243 °C

Flash Point：

233 °F

Refractive Index：

1.585

Water Solubility：

H2O: 6.5 g/L (20 C)

Storage Conditions：

-20°C

Safety Information

Packing level：

II; III

Hazard category：

4.1

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

22-24/25-36-26

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]|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, and P501|Aggregated GHS information provided by 20 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

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.)

MeSH Entry Terms：

indacrinic acid

1-Indanone Use and Manufacturing

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%.

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.

Manufacturing Info：

1H-Inden-1-one, 2,3-dihydro-: ACTIVE

Computed Properties

Molecular Weight:132.16
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Exact Mass:132.057514874
Monoisotopic Mass:132.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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