기본 정보
- CAS
104-66-5- 표준 SMILES
c1ccc(OCCOc2ccccc2)cc1- InChIKey
XCSGHNKDXGYELG-UHFFFAOYSA-N- 분자식
- C14H14O2
- 평균 분자량
- 214.26 g/mol
- 단동위원소 질량
- 214.09937969
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1,2-Diphenoxyethane
- IUPAC
- 2-phenoxyethoxybenzene
- 현지명
- 1,2-디페녹시에탄
- 영어명
- 1,2-Diphenoxyethane
- 분자식
- C14H14O2
- 분자량
- 214.26
이름 및 동의어
1,2-DIPHENOXYETHANE104-66-5Ethylene glycol diphenyl etherEthane, 1,2-diphenoxy-2-Phenoxyethyl phenyl etherBenzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-Benzene, 1,1'-(1,2-ethanediylbis(oxy))bis-DTXSID5026706NSC-6794V9W31HX4AWDTXCID406706RefChem:906752
이름 더 보기
1,2-디페녹시에탄Diphenoxy Ethane1,2-Diphenoxyethansym-DiphenoxyethaneDomiphen Impurity 5Diphenoxyethane (DPE)Ethane,1,2-diphenoxy-
203-224-92-phenoxyethoxybenzeneDiphenyl GlycolDiphenyl Cellosolve(2-Phenoxyethoxy)benzenediphenoxyethaneMFCD00003039NSC 6794
데이터베이스 식별자
- CAS
104-66-5、25852-90-8- PubChem CID
- 7713
- DTXSID
DTXSID5026706- ChEMBL
CHEMBL1901367- UNII
- V9W31HX4AW
- EC Number
- 203-224-9
- Nikkaji
- J5.033D
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 150
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Other Aromatic Compounds
Antioxidant
SpringerMaterials PropertiesChemical shift
LogP3.81
Vapor Pressure0.000314 [mmHg]
Physical DescriptionOff-white powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 94 · 94-96 °C (lit.)
- 끓는 점
- 185 °C · 185 °C / 12mmHg
- 밀도
- 1.0781 · 1.0781 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.557 · 1.5570 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 22 mg/L · 22mg/L at 25℃
- BRN
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-
Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis- 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)
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
REACH registered substance: 1,2-diphenoxyethane (EC: 203-224-9)
Other Safety InformationIMAP assessments - Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-: Human health tier I assessment
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Benzyl ether.
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
안전 및 보호
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
안전 데이터
화학 및 산업
용도 및 제조
U.S. Production2020: 66,469 lb
General Manufacturing Information
Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-: ACTIVE
Poly(oxy-1,2-ethanediyl), .alpha.-phenyl-.omega.-phenoxy-: INACTIVE
응용 분야
용도1,2-Diphenoxyethane is a reagent that is used in the production and use of activatable delivery compounds containing drugs or a detectable moiety and singlet oxygen-labile linkers.
일반 설명1,2-Diphenoxyethane is the intermediate formed during sonochemical oxidation of phenoxyacetic acid and chlorophenol.
제조 방법
The preparation of Ethylene glycol diphenyl ether is as follows:A three-necked flask was charged with 15.7 g of bromobenzene (100 mmol) and 47 ml of DMF, and stirred. 12.7 g of sodium carbonate (120 mmol, 1.2 eq.), 1.9 g of cuprous iodide (10 mmol, 0.1 eq.), 1.87 g of 2,2'-bipyridine (12 mmol, 0.1 eq.) and 7.4 g of ethylene glycol (120 mmol, 1.2 equivalent), the reaction mixture was stirred at 100 ° C overnight. After recovering DMF under reduced pressure, 100 ml of water and 100 ml of toluene were added, and the aqueous phase was extracted three times with 300 ml of toluene, and the organic layers were combined. Washed sequentially with 5% sodium carbonate. The organic phase was dried over anhydrous sodium sulfate, filtered, and then filtered and evaporated,The crude product was recrystallized from isopropanol and dried in vacuo to give 19.5 g of product, yield 91%, purity over 99%.
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