기본 정보
- 표준 SMILES
Cc1nccn1C- InChIKey
GIWQSPITLQVMSG-UHFFFAOYSA-N- 분자식
- C5H8N2
- 평균 분자량
- 96.13 g/mol
- 단동위원소 질량
- 96.06874826
개요
1,2-dimethylimidazole is a member of imidazoles.
이름 및 식별자
- 우선 이름
- 1,2-Dimethylimidazole
- IUPAC
- 1,2-dimethylimidazole
- 현지명
- 1,2-다이메틸이미다졸
- 영어명
- 1,2-Dimethylimidazole
- 분자식
- C5H8N2
- 분자량
- 96.13
이름 및 동의어
1,2-Dimethylimidazole1739-84-01H-Imidazole, 1,2-dimethyl-Q41BC3GRJBNSC-111174DTXSID2061939RefChem:411784DTXCID3035551217-101-21,2-Dimethyl-1H-imidazoleImidazole, 1,2-dimethyl-N,2-Dimethylimidazole
이름 더 보기
1,2-다이메틸이미다졸1,2-다이메틸이미다졸(1,2-DIMETHYLIMIDAZOLE)1,2-디메틸이미다졸DiMethyliMidazole1,2-dimethyl-1h-imidazol39-41℃1,2-DimethyLLupragen DMILUPRAGEN(R) DMIAKOS BBS-00004287
MFCD00005294NSC 1111741,2-dimethylimidazol1,2-Dimethylimidazole, >98%1H-Imidazole, dimethyl-EINECS 217-101-2UNII-Q41BC3GRJBNSC111174
데이터베이스 식별자
- CAS
1739-84-0- PubChem CID
- 15617
- DTXSID
DTXSID2061939- ChEBI
CHEBI:190967- UNII
- Q41BC3GRJB
- EC Number
- 217-101-2
- Nikkaji
- J132.800J
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 17.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 63.1
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Imidazoles
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density1.084 @25 °C
Boiling Point204 °C @760 [mm Hg]
Vapor Pressure1 [mm Hg] @20 °C
Physical Description
Liquid; Other Solid
Solid; mp = 37-39 deg C; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 37 · 37-39 °C (lit.)
- 끓는 점
- 204 °C · 204 °C (lit.)
- 밀도
- 1.084 g/mL · 1.084 g/mL at 25 °C (lit.)
- 증기압
- 1 mm · 1 mm Hg ( 20 °C)
- 굴절률
- 1.5 · 1.5000 (estimate)
- 인화점
- 198 °F · 198 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 산도 계수 (pKa)
- 7.76 · 7.76±0.25(Predicted)
- 물리적 상태
- 저융점 벌크 재료
- Specific Gravity
- 1.084 · 1.084
- 색상
- 무색~황색
- 수소이온지수(pH)
- 12.6 · 12.6 (500g/l, H2O, 20℃)
- 냄새
- Amine-like odor
- 수용성
- 물에 용해됩니다.
- BRN
- 108457 · 108457
- Henry's Law Constant
- 4.3 · 4.3×101 mol/(m3Pa) at 25℃, Du et al. (2017)
- InChI
- 1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3
- InChIKey
- GIWQSPITLQVMSG-UHFFFAOYSA-N
- SMILES
- Cc1nccn1C
- LogP
- 0.11 at · 0.11 at 25℃
- NIST
- 1 H-Imidazole, · 1H-Imidazole, 1,2-dimethyl-(1739-84-0)
- EPA
- 1 H-Imidazole, · 1H-Imidazole, 1,2-dimethyl- (1739-84-0)
화학적 성질
colorless to yellow low melting mass
안전 및 규제
GHS 분류
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 1H-Imidazole, 1,2-dimethyl-
1H-Imidazole, 1,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole, 1,2-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)
Status: Active Update: 05-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11565
1,2-Dimethylimidazole: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses tremor and convulsions in intraperitoneal lethal-dose studies of mice; [RTECS] A skin and strong eye irritant (may cause eye injury); Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 및 보호
Protective Action Criteria (PAC)
3.9 [mg/m3]
43 [mg/m3]
260 [mg/m3]
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- NI4838854
- ridadr
- UN 3263 8/PG 2
- 독성
- LD50 orally in Rabbit: 1300 mg/kg
- HS 번호
- 29332990
- risk_code
- 22-38-41
- hazard_code
- Xn,Xi
- safety_code
- 24-26-2
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- 99-3-1275
- 자연 발화 온도
- 896 °F
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesCatalyst
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1H-Imidazole, 1,2-dimethyl-: ACTIVE
응용 분야
용도1,2-Dimethylimidazole is used in the synthesis of 1,2-dimethyl-3-n-butylimidazoliumchloride and 1,2-dimethyl-3-n-propylimidazolium chloride. It also can be used in the synthesis of 1-(2-methoxyethyl)-2,3-dimethylimidazolium chloride and hexafluorophosphate salts.
일반 설명1,2-Dimethylimidazole reacts with copper(II) tetraacetate to yield cis-bis(acetato)bis(1,2-dimethylimidazole) copper(II) complex. It undergoes Menschutkin reaction with benzyl bromide to yield 3-benzyl-1,2-dimethylimidazolium bromide and kinetics of reaction was studied in various ionic liquids and molecular organic solvents.
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상류 원료
하류 제품
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