기본 정보
- CAS
269409-99-6- 표준 SMILES
CCOC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1- InChIKey
RFBZWPFBCXBBJS-UHFFFAOYSA-N- 분자식
- C15H21BO4
- 평균 분자량
- 276.14 g/mol
- 단동위원소 질량
- 276.15328955
이름 및 식별자
- 우선 이름
- Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- IUPAC
- ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- 영어명
- 2-Ethoxycarbonylphenylboronic acid pinacol ester
- 분자식
- C15H21BO4
- 분자량
- 276.14
이름 및 동의어
269409-99-6Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateDTXSID90378801RefChem:342421DTXCID403298282-Ethoxycarbonylphenylboronic acid pinacol esterMFCD03453660C15H21BO4ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ethyl esterethyl 2-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzoateEthyl2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
이름 더 보기
Ethyl-2-(42-carboethoxyphenylboron2-(Ethoxycarbonyl)benzeneboron2-carboethoxyphenylboronic acid pinacol ester2-(Ethoxycarbonyl)benzeneboronic acid pinacol ester2-Ethoxycarbonylphenylboronic acid pinacol ester 97%2-(Ethoxycarbonyl)benzeneboronic acid pinacol ester, 97%Ethyl 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ben
2-(ethoxycarbonyl)phenylboronic acid pinacol esterA818722SCHEMBL116622-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTERSCHEMBL29453753RFBZWPFBCXBBJS-UHFFFAOYSA-NAKOS015894406AB15518
데이터베이스 식별자
- CAS
269409-99-6- PubChem CID
- 2773962
- DTXSID
DTXSID90378801- EC Number
- 671-673-1
- Nikkaji
- J2.514.143A
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
- 녹는점
- 60 · 60-65 °C
- 끓는 점
- 378 · 378.0±25.0 °C(Predicted)
- 밀도
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 가루
- 색상
- 흰색에서 노란색으로
- InChI
- 1S/C15H21BO4/c1-6-18-13(17)11-9-7-8-10-12(11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
- InChIKey
- RFBZWPFBCXBBJS-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1ccccc1B2OC(C)(C)C(C)(C)O2
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2931900090
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
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