Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
6-Methyluracil
6-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE · 2,4-DIHYDROXY-6-METHYLPYRIMIDINE · 6-METHYLPYRIMIDINE-2,4-DIOL · 6-METHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE · Metacyl · Metacil · Methacyl · Methacil
식별자 및 물리적 특성
| CAS No. | 626-48-2 |
|---|---|
| 분자식 | C5H6N2O2 |
| 평균 분자량 | 126.11 g/mol |
| 단동위원소 질량 | 126.04292743 g/mol |
| SMILES | Cc1cc(=O)[nH]c(=O)[nH]1 |
| InChIKey | SHVCSCWHWMSGTE-UHFFFAOYSA-N |
| PubChem CID | 12283 |
| ChEMBL | CHEMBL1650614 |
| ChEBI | CHEBI:74733 |
| EC No. | 210-949-4 |
| DTXSID | DTXSID8052308 |
화학 및 물리적 성질
| XLogP | -0.8 |
|---|---|
| 극성 표면적 | 58.2 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 195 |
| pH | AQ SOLN 13 |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | -0.77 |
| Color/Form | CRYSTALS FROM GLACIAL ACETIC ACIDOCTAHEDRAL PRISMS OR NEEDLES FROM WATER OR ALCOHOL |
| 용해도 | SOL IN WATER, ETHER, ALKALI, AMMONIA, HOT ALCOHOLDMSO (약간 용해됨), 메탄올(약간 용해됨,가열, 초음파 처리) |
| Collision Cross Section | 120.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8052308] |
| Other Experimental Properties | DECOMP ABOVE 300 °CUV: 6-43 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Uracil, 1-methyl/UV: 6-43 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Uracil, 3-methyl/ |
| 녹는점 | 318 °C (dec.)(lit.) |
| 밀도 | 1.226±0.06 g/cm3(Predicted) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| pKa(산도 계수) | pK1:9.52 (25°C) |
| 물리적 상태 | 미세 결정성 분말 |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 7g/L(22℃) |
| Merck | 14,6133 |
| BRN | 115647 |
| InChI | InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9) |
| InChIKey | SHVCSCWHWMSGTE-UHFFFAOYSA-N |
| SMILES | C1(=O)NC(C)=CC(=O)N1 |
| NIST | 6-Methyluracil(626-48-2) |
| EPA | 2,4(1H,3H)-Pyrimidinedione, 6-methyl- (626-48-2) |
화학적 성질
White to Off-White Crystalline Solid
안전 및 규제
| GHS 분류 | WarningH361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 2,4(1H,3H)-Pyrimidinedione, 6-methyl-6-Methyluracil: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Repr. 2 (100%) |
| 상호 작용 | XYLOL (43.46 MG/CU M), TOLUENE (24.28 MG/CU M), OR BUTYL ACETATE (209.91 MG/CU M) INHALED 5 HR DAILY FOR 4 MONTHS DECREASED SERUM ALBUMIN & INCREASED SERUM BETA- & GAMMA-GLOBULIN & BETA-LIPOPROTEIN LEVELS IN RATS. 4-METHYLURACIL ADDED TO FOOD OF RATS DURING INHALATION NORMALIZED THE LIPID & PROTEIN METABOLIC INDEXES. PROPHYLACTIC USE OF THESE PREPN IN TANNING INDUSTRY WORKERS IS SUGGESTED. |
| Non-Human Toxicity Excerpts | ...INJECTED CHICK EGGS WITH 4 MG...PRODUCED ABNORMALITIES OF BRAIN OR EYE IN 24%. NO DEFECTS WERE PRODUCED IN RAT FETUSES WHEN THE MOTHER RECEIVED 3000 MG/KG OF BODY WEIGHT ON THE 9TH & 10TH DAY OF GESTATION.6-METHYLURACIL INHIBITED GERMINATION OF CICER ARIETINUM SEEDS (A SYSTEM USED TO SIMULATE EMBRYONIC TISSUE).WITH AN AGAR DIFFUSION TEST, IT WAS SHOWN THAT THERE ARE SUBSTANCES WITH STIMULATING OR INHIBITING ACTION, RESPECTIVELY, ON THE INDUCIBILITY OF PROPHAGES. THE PROPHAGES (LAMBDA +) & (LAMBDA IND S) EXHIBIT DIFFERENT REACTIONS ON EXPOSURE OF RESPECTIVE LYSOGENIC STRAINS AGAINST SOME SUBSTANCES TESTED. A SMALL SELECTION OF EFFECTIVE SUBSTANCES WERE QUALITATIVELY TESTED ON THE NONLYSOGENIC STRAIN ESCHERICHIA COLI C600 T44 & ON THE LYSOGENIC COMPLEX ESCHERICHIA COLI C600 T44 (LAMBDA IND-), THE PROPHAGE OF WHICH IS KNOWN TO BE NOT INDUCIBLE BY UV LIGHT. 6-METHYLURACIL DID NOT INDUCE (LAMBDA +) OR (LAMBDA IND S) PROPHAGES IN ESCHERICHIA COLI C600 T44 STRAINS.6-METHYLURACIL ADMIN ORALLY TO RATS AT 50 MG/KG DAILY FOR 30 DAYS INCR MUSCLE MITOCHONDRIAL PROTEIN CONTENT, SOMEWHAT INCREASED OXYGEN CONSUMPTION & PHOSPHATE DEMINERALIZATION, BUT DID NOT AFFECT OXIDATIVE PHOSPHORYLATION DURING MUSCULAR EXERCISE.For more Non-Human Toxicity Excerpts (Complete) data for 6-METHYLURACIL (9 total), please visit the HSDB record page. |
| 수질 위해 등급(WGK) |
용도
용도
6-Methyluracil (cas# 626-48-2) is a compound useful in organic synthesis.
제조 및 합성 방법
제조 방법
6-Methyluracil [626-48-2]. is produced by condensation of diketene with urea. It is used in the production of the analgesic mepirizole, the feed additive orotic acid, and 5-aminoorotic acid.