rac-ethyl (1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate
기본 정보
- CAS
2135443-14-8- 표준 SMILES
CCOC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1- InChIKey
AAORUCVESAXSRS-MASDURLHNA-N- 분자식
- C12H21BO4
- 평균 분자량
- 240.11 g/mol
- 단동위원소 질량
- 240.1532893
이름 및 식별자
- 우선 이름
- rac-ethyl (1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate
- IUPAC
- cis-ethyl (1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate
- 영어명
- Cyclopropanecarboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester, (1R,2S)-rel-
- 분자식
- C12H21BO4
- 분자량
- 240.1
이름 및 동의어
2135443-14-8RefChem:874452888-893-0rac-ethyl (1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylaterel-Ethyl (1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylateethyl cis-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropanecarboxylateEthyl (1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylateAT30214EN300-7430523ETHYL CIS-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOPROPANE-1-CARBOXYLATEZ3326870470rac-ethyl (1R,2S)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate
이름 더 보기
cis-2-(Ethoxycarbonyl)cyclopropylboronic Acid Pinacol Esterrel-Ethyl (1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane...rel-(1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)cyclopropane-1-ethyl formateethyl cis-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropanecarboxylate - [E84832]Cyclopropanecarboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester, (1R,2S)-rel-
SCHEMBL30923139SCHEMBL31642719WLZ4345ETHYL CIS-2-(4,4,5,5-TETPS-16016F552647ethyl (1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropanecarboxylaterel-Ethyl(1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate
데이터베이스 식별자
- CAS
2135443-14-8- PubChem CID
- 99866895
- EC Number
- 888-893-0
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
- 17
- 형식 전하
- 0
- 복잡도
- 310
물리화학적 성질
- 끓는 점
- 266.7 · 266.7±33.0 °C(Predicted)
- 밀도
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Storage temp. -20°C
- InChI
- InChI=1/C12H21BO4/c1-6-15-10(14)8-7-9(8)13-16-11(2,3)12(4,5)17-13/h8-9H,6-7H2,1-5H3/t8-,9+/s3
- InChIKey
- AAORUCVESAXSRS-MASDURLHNA-N
- SMILES
- [C@@H]1(C(OCC)=O)C[C@@H]1B1OC(C)(C)C(C)(C)O1 |&1:0,7,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
관련 반응
0건
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