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| CAS No.: | 6972-27-6 |
|---|---|
| Name: | 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione |
| Molecular Structure: | |
|
|
|
| Formula: | C6H7ClN2O2 |
| Molecular Weight: | 174.587 |
| Synonyms: | 6-chloro-1,3-dimethyl-pyrimidine-2,4-dione;1,3-Dimethyl-6-chlorouracil;6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione;6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione; |
| EINECS: | 230-205-2 |
| Density: | 1.43 g/cm3 |
| Melting Point: | 109-113 °C |
| Boiling Point: | 224.6 °C at 760 mmHg |
| Flash Point: | 89.6 °C |
| Solubility: | soluble in water |
| Appearance: | white or light white crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 44.00000 |
| LogP: | -0.26260 |
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| Conditions | Yield |
|---|---|
| With water; trichlorophosphate Heating; | 93% |
| With water; trichlorophosphate for 6h; Reflux; Large scale; | 92.3% |
| With trichlorophosphate |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; tetrabutylammomium bromide In dichloromethane at 20℃; for 48h; | 90% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; tetrabutylammomium bromide In dichloromethane; water at 40℃; Alkylation; | 90% |
- 89-25-8
edaravone
- 35824-85-2
6-chloro-5-formyl-1,3-dimethyluracil
A
- 6972-27-6
1,3-Dimethyl-6-chlorouracil
B
- 4702-90-3
1-phenyl-3-methyl-4-(1-phenyl-3-methyl-5-oxo-4-pyrazolylidene)methylene-5-pyrazolone
| Conditions | Yield |
|---|---|
| With piperidine In ethanol at 20℃; for 0.5h; | A 75% B n/a |
| Conditions | Yield |
|---|---|
| With potassium carbonate In dimethyl sulfoxide at 23℃; for 3h; Schlenk technique; Inert atmosphere; | 52% |
| Conditions | Yield |
|---|---|
| at 90℃; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aqueous HCl 2: POCl3 View Scheme |
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide; mineral oil at 70℃; for 3h; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane; water for 2h; Ambient temperature; | 100% |
- 71-23-8
propan-1-ol
- 6972-27-6
1,3-Dimethyl-6-chlorouracil
- 93767-18-1
1,3-Dimethyl-6-propoxy-1H-pyrimidine-2,4-dione
| Conditions | Yield |
|---|---|
| With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane; water for 2h; Ambient temperature; | 100% |
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Chemistry
Molecular structure of 6-Chloro-1,3-dimethyluracil (CAS NO.6972-27-6) is:
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Product Name: 6-Chloro-1,3-dimethyluracil
CAS Registry Number: 6972-27-6
IUPAC Name: 6-chloro-1,3-dimethylpyrimidine-2,4-dione
Molecular Weight: 174.58498 [g/mol]
Molecular Formula: C6H7ClN2O2
EINECS: 230-205-2
XLogP3-AA: 0.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Melting Point: 109-113 °C
Surface Tension: 51.8 dyne/cm
Density: 1.43 g/cm3
Flash Point: 89.6 °C
Enthalpy of Vaporization: 46.11 kJ/mol
Boiling Point: 224.6 °C at 760 mmHg
Vapour Pressure: 0.0906 mmHg at 25°C
Water Solubility: soluble
Product Categories: Biochemistry ;Nucleobases and their analogs ;Nucleosides, Nucleotides & Related Reagents ;Biochemicals and Reagents ;Nucleoside Analogs ;Nucleosides, Nucleotides, Oligonucleotides
Safety Profile
Safty information about 6-Chloro-1,3-dimethyluracil (CAS NO.6972-27-6) is:
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Specification
6-Chloro-1,3-dimethyluracil , its cas register number is 6972-27-6. It also can be called EINECS 230-205-2 . And, it is a white to light yellow flakes or powder.
First Aid Measures:
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion: Get medical aid. Wash mouth out with water.
Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Handling and Storage:
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Store in a tightly closed container.