Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,3-디메틸-3,4,5,6-테트라히드로-2(1H)-피리미디논
1,3-디메틸-3,4,5,6-테트라히드로-2(1H)-피리미디논 · DMPU · 1,3-Dimethyltetrahydropyrimidin-2(1H)-one · N,N'-Dimethylpropyleneurea · 1,3-Dimethyl-1,3-diazinan-2-one · N,N'-Dimethyltrimethyleneurea · 1,3-dimethyl-perhydro-2-pyrimidinone · 1,3-DIMETHYLTETRAHYDRO-2-PYRIMIDINONE
식별자 및 물리적 특성
| CAS No. | 7226-23-5 |
|---|---|
| 분자식 | C6H12N2O |
| 평균 분자량 | 128.17 g/mol |
| 단동위원소 질량 | 128.094963 g/mol |
| SMILES | CN1CCCN(C)C1=O |
| InChIKey | GUVUOGQBMYCBQP-UHFFFAOYSA-N |
| PubChem CID | 81646 |
| ChEMBL | CHEMBL12284 |
| EC No. | 230-625-6 |
| DTXSID | DTXSID3074575 |
| 현지명 | 1,3-디메틸-3,4,5,6-테트라히드로-2(1H)-피리미디논 |
화학 및 물리적 성질
| XLogP | -0.1 |
|---|---|
| 극성 표면적 | 23.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 112 |
| 물질 분류 | Nitrogen Compounds -> Pyrimidines |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless odorless liquidHygroscopic[Alfa Aesar MSDS] |
| 녹는점 | -20 °C |
| 끓는 점 | 146 °C44 mm Hg(lit.) |
| 밀도 | 1.06 g/mL at 25 °C(lit.) |
| 증기압 | 0.5 hPa (57 °C) |
| 굴절률 | n20/D 1.488(lit.) |
| 인화점 | 121 °C |
| 저장 조건 | Store below +30°C. |
| 용해도 | 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | -0.65±0.20(Predicted) |
| 색상 | 무색투명~미황색 |
| pH | 11 (100g/l, H2O, 20℃) |
| 폭발한계 | 1.6-9.3%(V) |
| 용해도 | 녹는 |
| BRN | 110562 |
| 유전율 | 36.119999999999997 |
| 안정성 | 흡습성 |
| 주요 응용 | 펩타이드 합성 |
| InChI | 1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3 |
| InChIKey | GUVUOGQBMYCBQP-UHFFFAOYSA-N |
| SMILES | CN1CCCN(C)C1=O |
| LogP(분배 계수) | 0.05 at 25℃ |
| EPA | 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl- (7226-23-5) |
화학적 성질
1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is clear colorless to slightly yellowish liquid
안전 및 규제
| GHS 분류 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 04-05-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/113911,3-Dimethyltetrahydro-2(1H)-pyrimidinone: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-: Human health tier II assessment |
| 유해성 요약 | May cause serious eye injuryHarmful by ingestionSuspected of being toxic to fertility or the developing child[ECHA REACH Registrations] Causes somnolence, ataxia, and respiratory stimulation in intraperitoneal lethal-dose studies of mice (LD50 = 1,300 mg/kg)[RTECS] A mild skin and severe eye irritant that may cause serious eye injuryPossible reproductive toxicant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Repr. 2 |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UW7582500 |
| 독성 | LD50 orally in Rabbit: 1770 mg/kg |
| 관세 코드 | 29335995 |
| 위험 문구(R) | 22-36-43-62-41 |
| 위험 표시 | Xn |
| 안전 문구(S) | 23-26-36/37/39-45 |
| F 고인화성물질 | 3-10 |
| 자연 발화 온도 | 255 °C |
| 위험 등급 | Acute Tox. 4 OralEye Dam. 1Repr. 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is a versatile organic solvent in and less toxic than HMPA. It is mainly applied in the synthesis of pharmaceuticals and agrochemicals. DMPU is also used in the electronics industry.