기본 정보
- 표준 SMILES
CN1CCN(C)C1=O- InChIKey
CYSGHNMQYZDMIA-UHFFFAOYSA-N- 분자식
- C5H10N2O
- 평균 분자량
- 114.15 g/mol
- 단동위원소 질량
- 114.07931294
개요
1,3-Dimethyl-2-imidazolidinon is an imidazolidinone.
이름 및 식별자
- 우선 이름
- 1,3-Dimethyl-2-imidazolidinone
- IUPAC
- 1,3-dimethylimidazolidin-2-one
- 현지명
- 1,3-디메틸-2-이미다졸리디논
- 영어명
- 1,3-Dimethyl-2-imidazolidinone
- 분자식
- C5H10N2O
- 분자량
- 114.15
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
80-73-9- PubChem CID
- 6661
- DTXSID
DTXSID1073153- ChEMBL
CHEMBL12338- ChEBI
CHEBI:193015- UNII
- 5C1YQQ9M90
- EC Number
- 201-304-8
- Nikkaji
- J11.846J
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 23.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 101
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 8.2 °C · 8.2 °C
- 끓는 점
- 224 · 224-226 °C (lit.)
- 밀도
- 1.056 g/mL · 1.056 g/mL at 25 °C (lit.)
- 증기압
- 1 hPa · <1 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.472(lit.)
- 인화점
- 220 °F · 220 °F
- 저장 조건
- 5 °C · Store at +5°C to +30°C.
- 용해도
- 톨루엔: 용해성(lit.)
- 산도 계수 (pKa)
- -0.65 · -0.65±0.20(Predicted)
- 물리적 상태
- 액체
- 색상
- 투명한
- 폭발한계
- 1.3 · 1.3-8.4%(V)
- 수용성
- 자유롭게 용해되는
- Merck
- 14 · 14,3249
- BRN
- 108808 · 108808
- 화장품 원료 기능
- 헤어 컨디셔닝보습제피부 컨디셔닝
- InChI
- 1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
- InChIKey
- CYSGHNMQYZDMIA-UHFFFAOYSA-N
- SMILES
- CN1CCN(C)C1=O
- LogP
- -0.3 at · -0.3 at 25℃
- NIST
- 1 · 1,3-Dimethyl-2-imidazolidinone(80-73-9)
- EPA
- N,N'-Dimethylimidazolidinone (80-73-9)
화학적 성질
Almost colorless, clear liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 301 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: 2-Imidazolidinone, 1,3-dimethyl-
2-Imidazolidinone, 1,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Imidazolidinone, 1,3-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 30-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11777
1,3-Dimethyl-2-imidazolidinone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (99.3%)
Acute toxicity (Oral) - Category 4
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NJ0660000
- ridadr
- UN 2810 6.1/PG 3
- 독성
- LD50 orally in Rabbit: 1261 mg/kg LD50 dermal Rabbit 986 mg/kg
- HS 번호
- 29332990
- risk_code
- 21/22-38-41-36/38-62-22
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39-36/37
- 포장분류
- Ⅲ
- 위험 등급
- 6.1
- 기존화학 물질
- KE-11497
- F 고인화성물질
- 3
- 위험 참고 사항
- Harmful/Irritant
- 자연 발화 온도
- 305 °C
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Repr. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
2-Imidazolidinone, 1,3-dimethyl-: ACTIVE
응용 분야
개요1,3- 디메틸 -2- 이미 다 졸리 디논은 고 기능성 반응 용매로서 사용될 수있다. 고분자 용제로서 고품질의 폴리 아미드를 제조하는 데에도 사용할 수 있습니다.
용도제약 중간체로서, 중요한 유기 용매; 제약 중간체뿐만 아니라 중요한 유기 용매.
개요DMI, a high purity aprotic solvent, is composed of nitrogen containing five membered ring compound and widely recognized as an epoch making solvent. It is a colorless, transparent, high polar solvent with high thermal and chemical stability and non-corrosiveness. The material has a high boiling point of 222° C, a high flash point of 120° C (open method) / 95° C (close method), and a low melting point of 7.5° C.
용도1,3-Dimethyl-2-imidazolidinone is used as a high-boiling polar aprotic solvent. It is used as a substitute solvent for toxic hexamethylphosphoramide. It finds application in detergents, dyestuffs, electronic materials and in the manufacture of polymers. It is involved in the preparation of 1,2-bis(trimethylsilyl)benzene. Further, it is utilized as a solvent during alfa-regioselective prenylation of imines. In addition to this, it constitutes the mobile phase during size-exclusion chromatographic analysis of cellulose.
일반 설명1,3-Dimethyl-2-imidazolidinone (DMI) is an imidazolidine derivative. It is reported to act as a promoter by minimizing the formation of dialkylation byproducts and accelerating the rate of monoalkylation of γ-butyrolactone. Conversion of CO2 to form lower alcohols by homogeneous catalytic hydrogenation using DMI as solvent has been investigated.
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