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기본 정보
- CAS
351457-64-2- 표준 SMILES
CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21- InChIKey
PTZKCFPZTHUQTI-UHFFFAOYSA-N- 분자식
- C14H22BNO2Si
- 평균 분자량
- 275.23 g/mol
- 단동위원소 질량
- 275.1512856
이름 및 식별자
- 우선 이름
- 1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acid
- IUPAC
- [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid
- 현지명
- 1-(TERT-부틸디메틸실릴)-1H-인돌-4-보론산98
- 영어명
- 1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOLE-4-BORONIC ACID 98
- 분자식
- C14H22BNO2Si
- 분자량
- 275.23
이름 및 동의어
1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acidRefChem:428714689-340-4351457-64-21-TBDMS-indole-4-boronic acid(1-(tert-Butyldimethylsilyl)-1H-indol-4-yl)boronic acidMFCD08436007[1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOL-4-YLBORONIC ACID1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOLE-4-BORONIC ACID 98[1-(tert-butyldimethylsilyl)-1H-indol-4-yl]boronic acid1-(tert-Butyldimethylsilyl)indole-4-boronic acid
이름 더 보기
1-(TERT-부틸디메틸실릴)-1H-인돌-4-보론산981-(Tert-Butyldimethylsilyl)Indole-4-Boronic1-(tert-ButyldiMethylsilyl)indole-4-boronic acid, 98%1-(tert-butyldimethylsilyl)-1H-indol-4-yl-4-boronic acid1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acid 98%{1-[(1,1-dimethylethyl)(dimethyl)silyl]-1H-indol-4-yl}boronic acidBoronic acid, B-[1-[(1,1-dimethylethyl)dimethylsilyl]-1H-indol-4-yl]-Boronic acid,[1-[(1,1-dimethylethyl)dimethylsilyl]-1H-indol-4-yl]- (9CI)
SCHEMBL1096421-TBDMS-4-indoleboronic acidDTXSID70625163PTZKCFPZTHUQTI-UHFFFAOYSA-NAKOS015894179PS-9705DA-06533CS-0175363
물성
구조 계산 물성보충 중
- 극성 표면적
- 45.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 330
물리화학적 성질
- 녹는점
- 130 · 130-135
- 끓는 점
- 352.1 · 352.1±48.0 °C(Predicted)
- 밀도
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- 저장 조건
- Keep Cold
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.07 · 9.07±0.30(Predicted)
- 색상
- 하얀색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (80%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 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 CategoriesSkin Irrit. 2 (20%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933299090
- hazard_code
- Xi
- 위험 참고 사항
- Irritant/Keep Cold
화학 및 산업
응용 분야
용도1-Tbdms-Indole-4-Boronic Acid is used in preparation of Benzofurans as Bromodomain inhibitors useful in treatment of diseases.
공급사22 곳
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
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