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Cas Database |
| Name |
1,2-Cyclohexanedione |
EINECS | 212-155-3 |
| CAS No. | 765-87-7 | Density | 1.127 g/cm3 |
| PSA | 34.14000 | LogP | 0.69860 |
| Solubility | soluble in water | Melting Point |
35 °C |
| Formula | C6H8O2 | Boiling Point | 194 °C at 760 mmHg |
| Molecular Weight | 112.128 | Flash Point | 66.9 °C |
| Transport Information | N/A | Appearance | clear yellow liquid after melting |
| Safety | 24/25 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, Xn
|
| Synonyms |
1,2-Dioxocyclohexane;NSC 32950;NSC 627435; |
Article Data | 130 |
1,2-Cyclohexanedione Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: 2-methoxycyclohexanone With propyl cyanide at 47℃; for 0.833333h; Stage #2: In dimethyl sulfoxide for 1.33333h; Stage #3: With sodium nitrate; platinum(IV) chloride In dimethyl sulfoxide at 56℃; for 3h; Temperature; | 98.3% |
| Conditions | Yield |
|---|---|
| With sodium bromate; sodium hydrogensulfite In water; acetonitrile at 20℃; for 2.5h; Oxidation; | A 1% B 95% |
| With fluorine In acetonitrile at 20℃; Baeyer-Villiger oxidation; | A 30% B 53% |
- 1072-86-2, 1460-57-7, 1792-81-0, 54383-22-1, 57794-08-8, 931-17-9
(1R,2R)-trans-1,2-cyclohexanediol
- 765-87-7
cyclohexane-1,2-dione
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide In decane; acetonitrile at 65℃; for 2.5h; | 93% |
| With tert.-butylhydroperoxide; thiourea S,S-dioxide In dodecane; acetonitrile at 65℃; for 4.5h; | 90% |
| With tert.-butylhydroperoxide In decane; acetonitrile at 65℃; for 0.5h; | 78% |
| Conditions | Yield |
|---|---|
| With N-methylpyrrolidine-2-one hydrotribromide; dihydrogen peroxide In acetonitrile for 0.5h; Heating; | 91% |
| With tert.-butylhydroperoxide; iron(III) chloride; thymidyl acetic acid In decane; acetonitrile at 80℃; for 16h; | 80% |
| With tetraphenylphosphonium monoperoxysulfate; 2-Iodobenzoic acid In 1,2-dichloro-ethane at 80℃; for 12h; | 79% |
- 63703-34-4
2,2-dimethoxycyclohexanol
A
- 38461-13-1
2,2-dimethoxycyclohexanone
B
- 765-87-7
cyclohexane-1,2-dione
| Conditions | Yield |
|---|---|
| With silver | A n/a B 88.5% |
| Conditions | Yield |
|---|---|
| With iron(III) chloride; dimethyl sulfoxide at 100℃; for 3h; | 85% |
| With iodine In water; acetonitrile at 40℃; for 2h; Solvent; Temperature; | 81% |
| With 2,2,6,6-tetramethylpiperidin-1-oxoammonium chloride; toluene-4-sulfonic acid | 75% |
| Conditions | Yield |
|---|---|
| With silica gel; copper(II) nitrate In tetrachloromethane at 25℃; for 0.833333h; | 85% |
| With [(hydrotris(3,5-diphenyl-pyrazol-1-yl)borate)FeII(benzilate)]; oxygen In benzene for 0.333333h; |
| Conditions | Yield |
|---|---|
| With oxygen In benzene at 10℃; for 1h; Kinetics; Reagent/catalyst; | A 85% B 13% |
- 85969-41-1
3-Chloro-N-(2-hydroxy-phenyl)-N-(6-oxo-cyclohex-1-enyl)-benzamide
A
- 78154-49-1
o-phenol
B
- 765-87-7
cyclohexane-1,2-dione
| Conditions | Yield |
|---|---|
| With silica gel In dichloromethane for 2.5h; Ambient temperature; | A 82% B 77% |
| Conditions | Yield |
|---|---|
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide for 3.5h; Ambient temperature; | 81% |
1,2-Cyclohexanedione Chemical Properties
Chemical Name: 1,2-Cyclohexanedione
IUPAC NAME: Cyclohexane-1,2-dione
CAS No.: 765-87-7
EINECS: 212-155-3
RTECS: GV0340000
Molecular Formula: C6H8O2
Molecular Weight: 112.13 g/mol
Melting Point: 35 °C
Density: 1.127 g/cm3
Flash Point: 66.9 °C
Boiling Point: 194 °C at 760 mmHg
Storage temp.: 0-6°C
Following is the structure of 1,2-Cyclohexanedione (765-87-7):
Product Categories about 1,2-Cyclohexanedione (765-87-7) are Ketone ; Pharmaceutical intermediate ; C3 to C6Protein Modification ; Reagents for arginine modification ; Carbonyl Compounds ; Ketones ; Specific Amino Acid Modification
The chemical synonymous of 1,2-Cyclohexanedione (765-87-7) are 1,2-Cyclohexadione ; 1,2-Dioxocyclohexane ; Cyclohexane-1,2-dione ; Dihydrocatechol ; 1,2-Cyclohexandione ; 1,2-Cyclohexanedione ; 2-Hydroxy-2-cyclohexen-1-one ; 2-Hydroxy-cyclohex-2-enone
1,2-Cyclohexanedione Uses
1,2-Cyclohexanedione (765-87-7) is mainly used in organic synthesis.
1,2-Cyclohexanedione Toxicity Data With Reference
| 1. | unr-mus LD50:440 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 12 (1978),227. |
1,2-Cyclohexanedione Consensus Reports
Reported in EPA TSCA Inventory.
1,2-Cyclohexanedione Safety Profile
Moderately toxic by unspecified route. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Note: Irritant
Hazard Codes:
Xn: Harmful .gif){kind=small}
Xi: Irritant
Risk Statements about 1,2-Cyclohexanedione (765-87-7):
R22 Harmful if swallowed.
Safety Statements about 1,2-Cyclohexanedione (765-87-7):
S24/25: Avoid contact with skin and eyes.
Attentions:
1. Storage: Keep away from sources of ignition. Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4°C/39°F.) Store under an inert atmosphere.
2. Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
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