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2-Indanone

2-Indanone structure

CAS No:
615-13-4
Formula:
C9H8O
Chemical Name:
2-Indanone
Synonyms:
2H-Inden-2-one,1,3-dihydro-;2-Indanone;1,3-Dihydro-2H-inden-2-one;2-Oxoindane;1H-Inden-2(3H)-one;2-Oxobenzocyclopentane;2,3-Dihydro-1H-inden-2-one;1,3-Dihydroinden-2-one
Categories:
Pharmaceutical Intermediates > Anti-Addiction Agents

Description

Wet crystalline aggregates

Indan-2-one is an indanone with an oxo substituent at position 2. It is a metabolite of indane. It has a role as a xenobiotic metabolite.

2-Indanone Basic Attributes

Molecular Weight：

132.16

Exact Mass：

132.16

BRN：

636550

EC Number：

210-410-3

UNII：

0I79N673DE

DSSTox ID：

DTXSID7052288

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

1.3

Appearance：

Light yellow to yellow-brown Crystals or Powder

Density：

1.0712 g/cm³ @ Temp: 66.8 °C

Melting Point：

59 °C

Boiling Point：

84-89 °C @ Press: 0.1 Torr

Flash Point：

212 °F

Refractive Index：

1.585

Water Solubility：

H2O: insoluble

Storage Conditions：

2-8°C

Safety Information

Packing level：

II; III

Hazard category：

4.1

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25-36-26

RTECS Number：

NK7535500

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

Not Classified

2-Indanone Use and Manufacturing

Uses

The intermediate of Ambryudine (indenepropylamine); used in the preparation of drugs such as apridine and cefradine.

Manufacturing Info：

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

Computed Properties

Molecular Weight:132.16
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Exact Mass:132.057514874
Monoisotopic Mass:132.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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