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기본 정보
- CAS
832114-07-5- 표준 SMILES
CN(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
CHLGBYJEMLCJJJ-UHFFFAOYSA-N- 분자식
- C15H22BNO3
- 평균 분자량
- 275.15 g/mol
- 단동위원소 질량
- 275.1692737
이름 및 식별자
- 우선 이름
- N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- IUPAC
- N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- 영어명
- 3-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester
- 분자식
- C15H22BNO3
- 분자량
- 275.15
이름 및 동의어
832114-07-5N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideDTXSID40374434RefChem:359252DTXCID80325465675-077-2MFCD058639073-(N,N-Dimethylaminocarbonyl)phenylboronic acid pinacol ester3-(Dimethylcarbamoyl)benzeneboronic acid pinacol ester3-(n,n-dimethylaminocarbonyl)phenylboronic acid, pinacol esterSCHEMBL1290866N,N-dimethyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
이름 더 보기
3-(Dimethylcarbamoyl)benzeneboronic acid, pinacol ester3-(N,N-Dimethylcarbamoyl)benzeneboronic acid pinacol ester3-(N,N-Dimethylcarboxamido)benzeneboronic acid pinacol esterBenzamide, N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 2-[3-(Dimethylcarbamoyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
AKOS015960128AB22698FS-5380SY362008DB-013570CS-0175654E84166EN300-7363686
물성
구조 계산 물성보충 중
- 극성 표면적
- 38.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 365
물리화학적 성질
- 저장 조건
- Keep Cold
- 물리적 상태
- 고체
- 색상
- 하얀색
- InChI
- 1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-9-7-8-11(10-12)13(18)17(5)6/h7-10H,1-6H3
- InChIKey
- CHLGBYJEMLCJJJ-UHFFFAOYSA-N
- SMILES
- B2(OC(C(O2)(C)C)(C)C)c1cc(ccc1)C(=O)N(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 Categories
Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Skin Sens. 1 (50%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Skin Sens. 1 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2931900090
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard Classifications
- Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도3-(N,N-Dimethylaminocarbonyl)phenylboronic acid pinacol ester
공급사35 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]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
安徽合诺生物科技有限公司18455579438
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
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