(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)벤젠

5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane

HCID 11788741

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5123-13-7
표준 SMILES: CC1(C)COB(c2ccccc2)OC1
InChIKey: FQMSNYZDFMWLGC-UHFFFAOYSA-N
분자식: C11H15BO2
평균 분자량: 190.05 g/mol
단동위원소 질량: 190.11651012

개요

See also: (5,5-Dimethyl-1,3,2-dioxaborinan-2-yl) benzene (annotation moved to).

이름 및 식별자

우선 이름: 5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane
IUPAC: 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane
현지명: (5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)벤젠
영어명: (5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzene
분자식: C11H15BO2
분자량: 190.05

이름 및 동의어

5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinaneDTXSID70472654RefChem:1072137DTXCID104234685123-13-7MFCD05663851Phenylboronic acid neopentylglycol esterPhenylboronic Acid Neopentyl Glycol Ester(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzenePhenylboronic acid, neopentyl ester1,3,2-Dioxaborinane, 5,5-dimethyl-2-phenyl-PHENYLBORONIC ACID, NEOPENTYL ESTER;5,5-DIMETHYL-2-PHENYL-1,3,2-DIOXABORINANE;(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZENE;Phenylboronic acid neopentylglycol ester, 97%;Phenylboronic Acid, neopentyl glycol cyclic ester;(5,5-Dimethyl-2-phenyl-1,3,2-dioxab

이름 더 보기

(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)벤젠5,5-Dimethyl-2-phenyl-1,3,2-dioxaborine5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinanBenzeneboronic acid neopentyl glycol ester5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane>Phenylboronic acid neopentylglycol ester 97%Phenylboronic acid neopentylglycol ester, 97%

2-phenyl-5,5-dimethyl-1,3,2-dioxaborinaneSCHEMBL2274567SCHEMBL3712453FQMSNYZDFMWLGC-UHFFFAOYSA-NSBB052556AKOS015960180AB21950AS-3037

데이터베이스 식별자

CAS: 5123-13-7
PubChem CID: 11788741
DTXSID: DTXSID70472654
Nikkaji: J1.429.487B

물성

구조 계산 물성

극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 62 · 62-66 °C (lit.)
끓는 점: 287.8 · 287.8±9.0 °C(Predicted)
밀도: 1 · 1.00±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C11H15BO2/c1-11(2)8-13-12(14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey: FQMSNYZDFMWLGC-UHFFFAOYSA-N
SMILES: CC1(C)COB(OC1)c2ccccc2