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기본 정보
- CAS
446285-73-0- 표준 SMILES
CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cn(C)cn1- InChIKey
WCEWCRAPSCLFOV-UHFFFAOYSA-N- 분자식
- C16H32N2Sn
- 평균 분자량
- 371.1 g/mol
- 단동위원소 질량
- 372.158752
이름 및 식별자
- 우선 이름
- 1-Methyl-4-(tributylstannyl)-1H-imidazole
- IUPAC
- tributyl-(1-methylimidazol-4-yl)stannane
- 현지명
- N-메틸-4-(트리부틸스타닐)이미다졸
- 영어명
- N-Methyl-4-(tributylstannyl)imidazole
- 분자식
- C16H32N2Sn
- 분자량
- 371.15
이름 및 동의어
446285-73-01-Methyl-4-(tributylstannyl)-1H-imidazoleDTXSID80619755RefChem:231865DTXCID30570509689-534-9n-methyl-4-(tributylstannyl)imidazoletributyl-(1-methylimidazol-4-yl)stannaneN-METHYL-4-(TRIBUTYLSTANNYL)IMIDAZOLE 70%1H-Imidazole, 1-methyl-4-(tributylstannyl)-SCHEMBL251041WCEWCRAPSCLFOV-UHFFFAOYSA-N
이름 더 보기
N-메틸-4-(트리부틸스타닐)이미다졸SKL9531-Methyl-4-(tributylstannyl)N-Methyl-4-(tributylstannyl)-1H-imidazoleN-Methyl-4-(tributylstannyl)iMidazole 95%1-methyl-4-(tributylstannanyl)-1H-imidazole(1-Methyl-1H-imidazol-4-yl)tributylstannane
AKOS0159503504-tri-n-butylstannyl-1-methylimidazoleAB92334DA-424211-methyl-4-tributylstannanyl-1H-imidazole4-(tributylstannyl)-1-methyl-1H-imidazoleCS-0088208N-Methyl-4-(tributylstannyl)imidazole, 95%
데이터베이스 식별자
- CAS
446285-73-0- PubChem CID
- 21901141
- DTXSID
DTXSID80619755- EC Number
- 689-534-9
물성
구조 계산 물성보충 중
- 극성 표면적
- 17.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 211
물리화학적 성질
- 끓는 점
- 411.4 · 411.4±37.0 °C(Predicted)
- 밀도
- 1.128 g/mL · 1.128 g/mL at 25 °C
- 굴절률
- 20 · n20/D1.509
- 인화점
- 110 ℃ · >110℃
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- liquid
- 산도 계수 (pKa)
- 6.99 · 6.99±0.70(Predicted)
- InChI
- InChI=1S/C4H5N2.3C4H9.Sn/c1-6-3-2-5-4-6;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;
- InChIKey
- WCEWCRAPSCLFOV-UHFFFAOYSA-N
- SMILES
- C1N(C)C=C([Sn](CCCC)(CCCC)CCCC)N=1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT RE 1 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
안전 데이터
- wgk
- 1
- ridadr
- UN 2788 6.1 / PGIII
- HS 번호
- 2933299090
- risk_code
- 21-25-36/38-48/23/25-50/53
- hazard_code
- T,N
- safety_code
화학 및 산업
응용 분야
용도1-Methyl-4-(tributylstannyl)imidazole is used as a reagent in the synthesis of methylthiopyrazole epothilone B which is a highly potent anticancer drug.
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