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Home > Encyclopedia > 1,3-Cyclohexanedione

1,3-Cyclohexanedione

1,3-Cyclohexanedione structure

1,3-Cyclohexanedione 

structure
  • CAS No:

    504-02-9

  • Formula:

    C6H8O2

  • Chemical Name:

    1,3-Cyclohexanedione

  • Synonyms:

    1,3-Cyclohexanedione;Dihydroresorcinol;Hydroresorcinol;Resorcinol,dihydro-;1,3-Benzenediol,dihydro-;1,3-Dioxocyclohexane;NSC 57477;Cyclohexane-1,3-dione

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

pale yellow to beige powder


DryPowder


Cyclohexane-1,3-dione is a cyclohexanedione carrying oxo substituents at positions 1 and 3. It is a beta-diketone and a cyclohexanedione.

1,3-Cyclohexanedione Basic Attributes

112.13

112.13

207-980-0

6UK3D2BXJT

57477

DTXSID1044433

2914299000

Characteristics

34.1

0

DryPowder

1.0861 g/cm3 @ Temp: 91 °C

105.5 °C

235.1°C at 760 mmHg

85.7±19.6 °C

1.474

soluble

Safety Information

NONH for all modes of transport

3

S24/25

GV0350000

P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P501

H302

Drug Information

1,3-cyclohexanedione

1,3-Cyclohexanedione Use and Manufacturing

Uses

Nitisinone intermediate.


Intermediates

Production

100,000 - 500,000 lb

Pesticide, fertilizer, and other agricultural chemical manufacturing|1,3-Cyclohexanedione: ACTIVE

Computed Properties

Molecular Weight:112.13
Hydrogen Bond Acceptor Count:2
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

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