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1,3-디메틸-2-이미다졸리디논

1,3-Dimethyl-2-imidazolidinone

HCID 6661
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
80-73-9
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

1,3-Dimethyl-2-imidazolidinone80-73-9Dimethyl imidazolidinoneRhonite 12-IMIDAZOLIDINONE, 1,3-DIMETHYL-5C1YQQ9M90DTXSID1073153NIKKOL DMIRefChem:72710DTXCID2048169201-304-81,3-Dimethylimidazolidin-2-one
이름 더 보기
1,3-다이메틸-2-이미다졸리딘온1,3-다이메틸-2-이미다졸리디논1,3-디메틸-2-이미다졸리디논다이메틸이미다졸리다이논DMI1,3-Dimethyl-2-imidazolinone1,3-DMIrhonite1Karbomos
N,N'-Dimethylethyleneurea1,3-DimethylimidazolidoneN,N'-DimethylimidazolidinoneDMEU1,3-Dimethyl-2-imidazolidone1,3-DimethylethyleneureaDimethylethyleneurea1,3-Dimethylimidazolidinone

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

CosmeticsHair conditioning; Humectant
SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점
8.2 °C · 8.2 °C (46.8 °F; 281.3 K)
끓는 점
225 °C · 225 °C (437 °F; 498 K)
밀도
1.06 · 1.06
증기압
1 hPa · <1 hPa (20 °C)
굴절률
1.47 · 1.47
인화점
120 °C · 120 °C (248 °F; 393 K)
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
liquid
색상
colorless
폭발한계
1.3 · 1.3-8.4%(V)
수용성
자유롭게 용해되는
Merck
14 · 14,3249
BRN
108808 · 108808
화장품 원료 기능

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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 · 5건

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 · 2건

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

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb
Industry UsesSolvent
Use ClassificationCosmetics -> Hair conditioning; Humectant
General Manufacturing Information · 2건

Pharmaceutical and Medicine Manufacturing

2-Imidazolidinone, 1,3-dimethyl-: ACTIVE

응용 분야 · 5건

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.

상·하류 제품 정보

관련 반응

451건
반응 기록 만들기
HRID 2296 반응식
HRID 2296반응물로uspto-grants-1998_03
HRID 5873 반응식
HRID 5873용매로uspto-grants-1993_09
HRID 6928 반응식
HRID 6928용매로uspto-grants-2006_08
HRID 35920 반응식
HRID 35920용매로uspto-grants-1995_05
HRID 40223 반응식
HRID 40223반응물로uspto-grants-2013_09
HRID 41853 반응식
HRID 41853반응물로uspto-grants-2013_09
HRID 42377 반응식
HRID 42377용매로uspto-grants-2013_09
HRID 46639 반응식
HRID 46639반응물로uspto-grants-1979_11
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화합물 노트

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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

2933290090
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

상류 원료

에틸렌디아민톨루엔염화트리옥틸메틸암모늄클로로포름요소수산화나트륨디메틸설페이트디메틸롤에틸렌요소탄산 칼륨포름산나트륨

하류 제품

사불화황산3,5-DifluorochlorobenzeneImidazolidine, 2,2-dichloro-1,3-dimethyl-