1,3-Cyclohexanedione - CAS 504-02-9

Catalog:	BB027041
Product Name:	1,3-Cyclohexanedione
CAS:	504-02-9
Synonyms:	cyclohexane-1,3-dione; cyclohexane-1,3-dione

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	cyclohexane-1,3-dione
Description:	1,3-Cyclohexanedione is a nitisinone intermediate.
Molecular Weight:	112.13
Molecular Formula:	C6H8O2
Canonical SMILES:	C1CC(=O)CC(=O)C1
InChI:	InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChI Key:	HJSLFCCWAKVHIW-UHFFFAOYSA-N
Boiling Point:	235.1 °C at 760 mmHg
Melting Point:	103-105 °C
Purity:	> 95 %
Density:	1.1 g/cm³
Appearance:	Off-white to light orange solid
Storage:	Store in tight containers in a cool and dry place.
MDL:	MFCD00001585
LogP:	0.69860

Publication Number	Title	Priority Date
CN-113321609-A	Method for synthesizing 4-hydroxyindole	20210705
CN-113429416-A	Synthesis method of dihydrofuropyrrolone derivative with spirotricyclic framework	20210630
CN-113354563-A	Method for preparing triketone compound by continuous flow	20210607
CN-113429365-A	Method for synthesizing 1, 2-benzothiazine compound by rhodium (III) catalyzed C-H activation reaction	20210604
CN-113429264-A	Continuous production method of 3-chloro-2-methylphenol and device for producing same	20210602

PMID	Publication Date	Title	Journal
22116735	20120601	Degradation and mineralization of sulcotrione and mesotrione in aqueous medium by the electro-Fenton process: a kinetic study	Environmental science and pollution research international
22161122	20120501	Combining click-multicomponent reaction: one-pot synthesis of triazolyl methoxy-phenyl indazolo[2,1-b]phthalazine-trione derivatives	Molecular diversity
22590301	20120501	2-Amino-4-(4-chloro-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile	Acta crystallographica. Section E, Structure reports online
22590330	20120501	Absolute configuration of xerophenone A	Acta crystallographica. Section E, Structure reports online
22347102	20120201	(E)-9-(4-Chloro-styr-yl)-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione	Acta crystallographica. Section E, Structure reports online

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H302 (98.95%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (95.26%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H412 (95.79%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.052429494
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0