기본 정보
- CAS
931-51-1- 표준 SMILES
[CH-]1CCCCC1.[Cl-].[Mg+2]- InChIKey
WMJMABVHDMRMJA-UHFFFAOYSA-M- 분자식
- C6H11ClMg
- 평균 분자량
- 142.91 g/mol
- 단동위원소 질량
- 142.0399697
이름 및 식별자
- 우선 이름
- Cyclohexylmagnesium chloride
- IUPAC
- magnesium;cyclohexane;chloride
- 현지명
- 사이클로헥실암모늄염화물
- 영어명
- Cyclohexylmagnesium chloride
- 분자식
- C6H11ClMg
- 분자량
- 142.91
이름 및 동의어
CYCLOHEXYLMAGNESIUM CHLORIDE931-51-1Magnesium, chlorocyclohexyl-ChlorocyclohexylmagnesiumHSDB 5772OAG686RDSUEINECS 213-237-1EC 213-237-1DTXSID2061309RefChem:580868Magnesium, chlorocyclohexylDTXCID4048856
이름 더 보기
사이클로헥실암모늄염화물Cyclohexylchloromagnesiumchlorocyclohexyl-magnesiuMagnesiuM,chlorocyclohexyl-Cycohexylmagnesium chloridecyclohexylmagnesium chloride sol.Cyclohexylmagnesium chloride solutionCyclohexylmagnesium chloride, 1M in THFCYCLOHEXYLMAGNESIUM CHLORIDE(2.0MinTHF)
CYCLOHEXYLMAGNESIUM CHLORIDE [HSDB]213-237-1UNII-OAG686RDSUmagnesium;cyclohexane;chlorideCHLORO(CYCLOHEXYL)MAGNESIUMMFCD00003816cyclohexylmagnesiumchloridecyclohexyl magnesium chloride
데이터베이스 식별자
- CAS
931-51-1- PubChem CID
- 13605
- DTXSID
DTXSID2061309- EC Number
- 213-237-1
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 35.5
실험 및 물리화학적 성질
Chemical ClassesMetals -> Metals, Organic Compounds
Physical DescriptionSolution in diethyl ether: Yellow-brown liquid; [MSDSonline]
Other Experimental Properties
Moisture sensitive
... May react violently with water. /Methyl magnesium bromide in ethyl ether/
물리화학적 성질
- 밀도
- 0.871 g/mL · 0.871 g/mL at 25 °C
- 인화점
- 40 °F · −40 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 투명하고 매우 어두운 갈색
- 수용성
- 물과 격렬하게 반응합니다.
- BRN
- 3535440 · 3535440
- InChI
- InChI=1S/C6H11.ClH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q;;+1/p-1
- InChIKey
- WMJMABVHDMRMJA-UHFFFAOYSA-M
- SMILES
- [Mg](C1CCCCC1)Cl
- EPA
- Magnesium, chlorocyclohexyl- (931-51-1)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (42.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: Chlorocyclohexylmagnesium (EC: 213-237-1)
Hazards Summary
Apart from their instability in air and their caustic basic properties, organomagnesium compounds and the precipitated inorganic magnesium salts produced during their use display no pronounced toxicity or side effects of environmental concern. [Ullmann] Solution in diethyl ether: Reacts violently with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; [MSDSonline]
DOT Emergency Guidelines
/GUIDE 138: SUBSTANCES - WATER-REACTIVE (EMITTING FLAMMABLE GASES)/ Fire or Explosion: Produce flammable gases on contact with water. May ignite on contact with water or moist air. Some react vigorously or explosively on contact with water. May be ignited by heat, sparks or flames. May re-ignite after fire is extinguished. Some are transported in highly flammable liquids. Runoff may create fire or explosion hazard. /Organometallic substance, liquid, water-reactive, flammable/
/GUIDE 138: SUBSTANCES - WATER-REACTIVE (EMITTING FLAMMABLE GASES)/ Health: Inhalation or contact with vapors, substance, or decomposition products may cause severe injury or death. May produce corrosive solutions on contact with water. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control may cause pollution. /Organometallic substance, liquid, water-reactive, flammable/
화학 및 산업
용도 및 제조
Uses
Used as chemical intermediate; [HSDB]
CHEM INT, EG, FOR CYCLOHEXYLSILANE
Methods of ManufacturingREACTION OF CYCLOHEXYL CHLORIDE WITH MAGNESIUM IN ANHYDROUS DIETHYL ETHER, USUALLY IN THE PRESENCE OF AN INITIATOR
General Manufacturing InformationMagnesium, chlorocyclohexyl-: ACTIVE
응용 분야
용도Cyclohexylmagnesium chloride is used as a Grignard reagent in greener solvent, 2-methyltetrahydrofuran (2-MeTHF). It is used as a reagent for the introduction of the cyclohexyl group; metalation of CH-acidic compounds.
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