기본 정보
- CAS
180675-22-3- 표준 SMILES
[Br-].[CH2-]C1OCCO1.[Mg+2]- InChIKey
IERSPCAGKAOLSQ-UHFFFAOYSA-M- 분자식
- C4H7BrMgO2
- 평균 분자량
- 191.31 g/mol
- 단동위원소 질량
- 189.94798
이름 및 식별자
- 우선 이름
- (1,3-Dioxolan-2-ylmethyl)magnesium bromide
- IUPAC
- magnesium;2-methanidyl-1,3-dioxolane;bromide
- 영어명
- (1,3-Dioxolan-2-ylmethyl)magnesium bromide
- 분자식
- C4H7BrMgO2
- 분자량
- 191.31
이름 및 동의어
(1,3-dioxolan-2-ylmethyl)magnesium bromideRefChem:391405629-669-2180675-22-3MFCD013212712-[(bromomagnesio)methyl]-1,3-dioxolane1,3-Dioxolan-2-ylmethylmagnesium bromide, 0.50 M in THFSCHEMBL285800ZDNTZRAFJZERSL-UHFFFAOYSA-M1,3-Dioxolan-2-ylmethylmagnesium bromide, 0.50 M in 2-MeTHFAKOS0159090321,3-Dioxolan-2-ylmethylmagnesium bromide
이름 더 보기
2-methanidyl-1,3-dioxolaneBromo(1,3-dioxolan-2-ylmethyl)magnesiumMagnesiuM,broMo(1,3-dioxolan-2-ylMethyl)-magnesium,2-methanidyl-1,3-dioxolane,bromide(1,3-dioxolan-2-ylmethyl)magnesium bromide solution(1,3-Dioxolan-2-ylmethyl)magnesium bromide, 0.5M solution in THF(1,3-Dioxolan-2-ylMethyl)MagnesiuM broMide solution 0.5 M in THF
((1,3-dioxolan-2-yl)methyl)magnesium bromide(1,3-dioxolane-2-ylmethyl)magnesium bromide solution1,3-Dioxolan-2-ylmethyl magnesium bromide 0.5M in THF(1,3-Dioxolan-2-ylmethyl)magnesium bromide, 0.50 M in THF
데이터베이스 식별자
- CAS
180675-22-3- PubChem CID
- 4247254
- EC Number
- 629-669-2
물성
구조 계산 물성
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 47.3
물리화학적 성질
- 끓는 점
- 65 · 65-67 °C
- 밀도
- 0.938 g/mL · 0.938 g/mL at 25 °C
- 인화점
- 4 °F · −4 °F
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색, 연한 갈색까지
- InChI
- 1S/C4H7O2.BrH.Mg/c1-4-5-2-3-6-4;;/h4H,1-3H2;1H;/q;;+1/p-1
- InChIKey
- ZDNTZRAFJZERSL-UHFFFAOYSA-M
- SMILES
- Br[Mg]CC1OCCO1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2924 3/PG 2
- risk_code
- 11-14-19-22-34-40-37-36/37/38
- hazard_code
- F,C,Xn
- safety_code
- 16-26-33-36-36/37/39-45-36/37
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도(1,3-Dioxolan-2-ylmethyl)magnesium bromide is a Grignard reagent that can be used to prepare:3-[11C]-Propionaldehyde, a key intermediate for the synthesis of radiolabeled compound [11C]SN-38, wherein SN-38 is 7-ethyl-10-hydroxy camptothecin.1-[(S)-2,2-Dimethyl-(1,3)-dioxolan-4-yl]-4-(1,3-dioxolan2-yl)-2-ol by reacting with D-glyceraldehyde, which is further used to synthesize unsaturated nucleosides.A bicyclo carboxylate intermediate, which is employed in the total synthesis of spirovibsanin A.
공급사30 곳
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