기본 정보
- CAS
219489-09-5- 표준 SMILES
CC1(C)C=C(B2OC(C)(C)C(C)(C)O2)C(=O)CC1- InChIKey
MMYLPQABFZSMCP-UHFFFAOYSA-N- 분자식
- C14H23BO3
- 평균 분자량
- 250.14 g/mol
- 단동위원소 질량
- 250.174025
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
- IUPAC
- 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
- 현지명
- 4,4-(디메틸사이클로헥스-2-엔온)-2-보론산,피나콜에스테르
- 영어명
- 4,4-(Dimethylcyclohex-2-enone)-2-boronic acid, pinacol ester
- 분자식
- C14H23BO3
- 분자량
- 250.14
이름 및 동의어
219489-09-54,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one4,4-(Dimethylcyclohex-2-en-1-one)-2-boronic acid, pinacol ester4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-enoneMFCD090270744,4-(Dimethylcyclohex-2-enone)-2-boronic acid, pinacol ester3,3-Dimethyl-6-oxocyclohex-1-ene-1-boronic acid, pinacol esterDTXSID40436940AKOS015893486PS-97114,4-(Dimethylcyclohex-2-enone)-2-boronic acid pinacol ester4,4-(dimethylcyclohex-2-en-1-one)-2-boronic acid, pinacol ester, AldrichCPR
이름 더 보기
4,4-(디메틸사이클로헥스-2-엔온)-2-보론산,피나콜에스테르3,3-Dimethyl-6-oxo-1-cyclohexene-1-boronic Acid Pinacol Ester4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)...4,4-DiMethyl-2-cyclohexen-1-one-2-boronic acid pinacol ester, 97%4,4-Dimethyl-2-cyclohexen-1-one-2-boronic acid pinacol ester, 97%,2-Cyclohexen-1-one, 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one, 2-(3,3-Dimethyl-6-oxocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4,4-(Dimethylcyclohex-2-en-1-one)-2-boronic acid pinacol esterA878858SCHEMBL1701535MMYLPQABFZSMCP-UHFFFAOYSA-NAT16288SY279678CS-0176812F694533
데이터베이스 식별자
- CAS
219489-09-5- PubChem CID
- 10220580
- DTXSID
DTXSID40436940
물성
구조 계산 물성
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 391
물리화학적 성질
- 끓는 점
- 295.8 · 295.8±50.0 °C(Predicted)
- 밀도
- 1 · 1.00±0.1 g/cm3(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
- InChI
- 1S/C14H23BO3/c1-12(2)8-7-11(16)10(9-12)15-17-13(3,4)14(5,6)18-15/h9H,7-8H2,1-6H3
- InChIKey
- MMYLPQABFZSMCP-UHFFFAOYSA-N
- SMILES
- B2(OC(C(O2)(C)C)(C)C)C1=CC(CCC1=O)(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 2931900090
- risk_code
- 22
- hazard_code
- Xi,Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
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