1,3-Dimethyl-6-chlorouracil
1,3-Dimethyl-6-chlorouracil structure
|
Common Name | 1,3-Dimethyl-6-chlorouracil | ||
|---|---|---|---|---|
| CAS Number | 6972-27-6 | Molecular Weight | 174.585 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 224.6±50.0 °C at 760 mmHg | |
| Molecular Formula | C6H7ClN2O2 | Melting Point | 109-113 °C | |
| MSDS | N/A | Flash Point | 89.6±30.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 224.6±50.0 °C at 760 mmHg |
| Melting Point | 109-113 °C |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.585 |
| Flash Point | 89.6±30.1 °C |
| Exact Mass | 174.019608 |
| PSA | 44.00000 |
| LogP | 0.59 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.577 |
| InChIKey | VATQPUHLFQHDBD-UHFFFAOYSA-N |
| SMILES | Cn1c(Cl)cc(=O)n(C)c1=O |
| Water Solubility | soluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi:Irritant |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| WGK Germany | 3 |
| HS Code | 2933599090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~93%
1,3-Dimethyl-6-... CAS#:6972-27-6 |
| Literature: Kuz'menko, V. V.; Kuz'menko, T. A.; Aleksandrov, G. G.; Pozharskii, A. F.; Gulevskaya, A. V. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1987 , vol. 23, # 6 p. 690 - 697 Khimiya Geterotsiklicheskikh Soedinenii, 1987 , vol. 23, # 6 p. 836 - 844 |
|
~90%
1,3-Dimethyl-6-... CAS#:6972-27-6 |
| Literature: Hedayatullah, Mir Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 339 - 342 |
|
~90%
1,3-Dimethyl-6-... CAS#:6972-27-6 |
| Literature: Bhuyan, Pulak J.; Borah, Harsha N.; Sandhu, Jagir S. Journal of the Chemical Society - Perkin Transactions 1, 1999 , # 21 p. 3083 - 3084 |
|
~72%
1,3-Dimethyl-6-... CAS#:6972-27-6
Learn More
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| Literature: Deb, Mohit L.; Majumder, Swarup; Bhuyan, Pulak J. Synlett, 2009 , # 12 p. 1982 - 1984 |
|
~%
1,3-Dimethyl-6-... CAS#:6972-27-6 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 612, p. 158,162 |
|
~%
1,3-Dimethyl-6-... CAS#:6972-27-6 |
| Literature: Journal of the Chemical Society, , p. 955 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
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CAS#:874-14-6![Benzo[g]pteridine-2,4(1H,3H)-dione,1,3-dimethyl-, 5-oxide structure](https://image.chemsrc.com/caspic/088/2962-89-2.png)
CAS#:2962-89-2
CAS#:519-32-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-chloro-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| EINECS 230-205-2 |
| MFCD00038066 |
| 1,3-Dimethyl-6-chlorouracil |
| 6-Chloro-1,3-dimethyluracil |
| 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione |
| 6-chloro-1,3-dimethylpyrimidine-2,4-dione |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: InChIKey of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione is VATQPUHLFQHDBD-UHFFFAOYSA-N. |
| Q: What is the melting point of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: Melting point of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione is 109-113 °C. |
| Q: How is the water solubility of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: Water solubility of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione: soluble. |
| Q: What is the polar surface area (PSA) of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: Polar surface area (PSA) of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione is 44.00000. |
| Q: What is the English name of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: The English name of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione is 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione. |
| Q: What is the safety information for 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: Safety information for 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione: S37/39-S26. |
| Q: What is the LogP of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: LogP of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione is 0.59. |
| Q: What is the boiling point of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: Boiling point of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione is 224.6±50.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: SMILES notation of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione is Cn1c(Cl)cc(=O)n(C)c1=O. |
| Q: What is the molecular formula of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione? |
| A: Molecular formula of 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione is C6H7ClN2O2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |