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기본 정보
- CAS
377780-72-8- 표준 SMILES
CC1(C)OB(c2ccccc2CBr)OC1(C)C- InChIKey
ROIXSNLOYHDYBP-UHFFFAOYSA-N- 분자식
- C13H18BBrO2
- 평균 분자량
- 297 g/mol
- 단동위원소 질량
- 296.05832
이름 및 식별자
- 우선 이름
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide
- IUPAC
- 2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- 현지명
- (2-브로모메틸페닐)보론산,피나콜에스테르
- 영어명
- (2-Bromomethylphenyl)boronic acid, pinacol ester
- 분자식
- C13H18BBrO2
- 분자량
- 297
이름 및 동의어
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl BromideRefChem:455962687-067-5377780-72-82-(2-(BROMOMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-Bromomethylphenylboronic acid pinacol ester2-BROMOMETHYLPHENYLBORONIC ACID, PINACOL ESTERMFCD01632210(2-BROMOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER2-(BROMOMETHYL)BENZENEBORONIC ACID PINACOL ESTER2-(Bromomethyl)phenylboronic Acid Pinacol Ester
이름 더 보기
(2-브로모메틸페닐)보론산,피나콜에스테르2-bromethylbenzeneboronic acidolester2-[2-(Bromomethyl)phenyl]-4,4,5,5-tetra(2-BROMOMETHYLPHENYL)BORONIC ACID, PICOL ESTER2-(Bromomethyl)benzeneboronicacidpinacolcyclicester1,3,2-Dioxaborolane, 2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-2-[2-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl bromide
(2-BROMOMETHYLPHENSCHEMBL2586990SCHEMBL30393353(2-(BROMOMETHYL)PHENYL)BORONIC ACID PINACOL ESTERDTXSID60397089ROIXSNLOYHDYBP-UHFFFAOYSA-NAKOS015960316AB09488
데이터베이스 식별자
- CAS
377780-72-8- PubChem CID
- 3834834
- DTXSID
DTXSID60397089- EC Number
- 687-067-5
- Nikkaji
- J1.701.439K
물성
구조 계산 물성보충 중
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 265
물리화학적 성질
- 녹는점
- 78 · 78-80°C
- 끓는 점
- 360.6 · 360.6±25.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름(소량으로 용해)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- 1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,9H2,1-4H3
- InChIKey
- ROIXSNLOYHDYBP-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2ccccc2CBr
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 42 reports by companies from 5 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 (97.6%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (95.2%)
안전 데이터
- wgk
- 2
- tsca
- No
- HS 번호
- 2931900090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 위험 참고 사항
- Irritant/Keep Cold
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
상류 원료
공급사98 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
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