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기본 정보
- CAS
957065-99-5- 표준 SMILES
COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1- InChIKey
IXKFGVRURWXXKX-UHFFFAOYSA-N- 분자식
- C13H18BNO4
- 평균 분자량
- 263.1 g/mol
- 단동위원소 질량
- 263.1328882
이름 및 식별자
- 우선 이름
- 2-Methoxycarbonyl-5-pyridineboronic acid, pinacol ester
- IUPAC
- methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
- 영어명
- Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
- 분자식
- C13H18BNO4
- 분자량
- 263.1
이름 및 동의어
2-Methoxycarbonyl-5-pyridineboronic acid, pinacol esterRefChem:474574800-407-0957065-99-5Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate2-(Methylcarboxy)pyridine-5-boronic acid pinacol ester6-(Methoxycarbonyl)pyridine-3-boronic acid pinacol estermethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylatemethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylateMFCD08063051Methyl pyridine-5-boronic acid pinacol ester-2-carboxylate(6-(METHOXYCARBONYL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER
이름 더 보기
methyl 5-(4,4,5,5-tetrame2-(Methylcarboxy)pyridine-5-boronic2-Methoxycarbonyl-5-pyridineboronic acid2-Methoxycarbonylpyridine-5-boronic acid ester2-(Methylcarboxy)pyridine-6-boronic acid pinacol estermethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
6-Methoxycarbonylpyridine-3-boronic acid pinacol esterSCHEMBL10835872-(Methoxycarbonyl)pyridine-5-boronic acid pinacol esterSCHEMBL30135556DTXSID60674322IXKFGVRURWXXKX-UHFFFAOYSA-NMethyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate2-(METHYLCARBOXY)PYRIDINE...
데이터베이스 식별자
- CAS
957065-99-5- PubChem CID
- 46738663
- DTXSID
DTXSID60674322- EC Number
- 800-407-0
물성
구조 계산 물성보충 중
- 극성 표면적
- 57.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 343
물리화학적 성질
- 끓는 점
- 383.9 · 383.9±27.0 °C(Predicted)
- 밀도
- 1.12 · 1.12
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 1.68 · 1.68±0.12(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): 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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 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. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933399990
공급사
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공개 문의
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관련 반응
10건
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