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1,3-Indandione

1,3-Indandione structure

CAS No:
606-23-5
Formula:
C9H6O2
Chemical Name:
1,3-Indandione
Synonyms:
1H-Indene-1,3(2H)-dione;1,3-Indandione;Indandione;1,3-Diketohydrindene;1,3-Indanedione;Indene-1,3(2H)-dione;NSC 26329;NSC 6312;1,3-Dioxobenzocyclopentane;2H-Indene-1,3-dione;823271-74-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

YELLOW TO GREEN FINE CRYSTALLINE POWDER

1,3-indandione is a member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. It is a member of indanones, a beta-diketone and an aromatic ketone.

1,3-Indandione Basic Attributes

Molecular Weight：

146.14

Exact Mass：

146.14

BRN：

1210061

EC Number：

210-109-7

UNII：

4DJN7YG35G

NSC Number：

26329|6312

DSSTox ID：

DTXSID2060547

HScode：

29143900

Characteristics

PSA：

34.1

XLogP3：

0.6

Appearance：

White to yellow to beige Powder

Density：

1.3±0.1 g/cm3

Melting Point：

131.5 °C (decomp)

Boiling Point：

112-115 °C @ Press: 9-10 Torr

Flash Point：

113.0±19.3 °C

Refractive Index：

1.610

Water Solubility：

H2O: soluble in ethanol, ether, benzene, slightly soluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

II; III

Hazard category：

4.1

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

33-36/37/38

safety instructions：

24/25-36/37/39-27-26

RTECS Number：

NK5070000

Marks：

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 (50%): 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 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,3-indandione

1,3-Indandione Use and Manufacturing

Manufacturing Info：

1H-Indene-1,3(2H)-dione: ACTIVE

Computed Properties

Molecular Weight:146.14
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Exact Mass:146.036779430
Monoisotopic Mass:146.036779430
Topological Polar Surface Area:34.1
Heavy Atom Count:11
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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