기본 정보
- CAS
478375-42-7- 표준 SMILES
COC(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
BLPDNEGFSINGPV-UHFFFAOYSA-N- 분자식
- C15H21BO4
- 평균 분자량
- 276.14 g/mol
- 단동위원소 질량
- 276.15328955
이름 및 식별자
- 우선 이름
- 3-(2-Methoxy-2-oxoethyl)phenylboronic acid, pinacol ester
- IUPAC
- methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
- 영어명
- Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
- 분자식
- C15H21BO4
- 분자량
- 276.14
이름 및 동의어
3-(2-Methoxy-2-oxoethyl)phenylboronic acid, pinacol esterRefChem:491113880-290-0478375-42-7METHYL 2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATEMFCD13195752Methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate3-(2-Methoxy-2-oxoethyl)phenylboronic acid pinacol estermethyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetatemethyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateSCHEMBL137029DTXSID90455161
이름 더 보기
Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaboMethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl-acetic acid Methyl esterMethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate - [M23835]Benzeneacetic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
BLPDNEGFSINGPV-UHFFFAOYSA-N(3-(2-METHOXY-2-OXOETHYL)PHENYL)BORONIC ACID PINACOL ESTERAKOS016007472METHYL 2-[3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETATEMB13508METHYL2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATEDS-17401SY102390
데이터베이스 식별자
- CAS
478375-42-7- PubChem CID
- 11097791
- DTXSID
DTXSID90455161- EC Number
- 880-290-0
물성
구조 계산 물성
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 351
물리화학적 성질
- 끓는 점
- 372 · 372.0±25.0 °C(Predicted)
- 밀도
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
안전 데이터
- HS 번호
- 2931900090
화학 및 산업
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