기본 정보
- 표준 SMILES
CCCCCC1CCC(c2ccc(B(O)O)cc2)CC1- InChIKey
JFESOTHKCUMHGA-UHFFFAOYSA-N- 분자식
- C17H27BO2
- 평균 분자량
- 274.2 g/mol
- 단동위원소 질량
- 274.2104105
이름 및 식별자
- 우선 이름
- 4-(trans-4-Pentylcyclohexyl)phenylboronic Acid
- IUPAC
- [4-(4-pentylcyclohexyl)phenyl]boronic acid
- 현지명
- 4-(TRANS-4-펜틸사이클로헥실)페닐보론산
- 영어명
- 4-(TRANS-4-PENTYLCYCLOHEXYL) PHENYL BORONIC ACID
- 분자식
- C17H27BO2
- 분자량
- 274.21
이름 및 동의어
4-(TRANS-4-PENTYLCYCLOHEXYL)PHENYLBORONIC ACIDRefChem:517040811-156-1143651-26-7136321-96-5(4-(trans-4-Pentylcyclohexyl)phenyl)boronic acid[4-(4-pentylcyclohexyl)phenyl]boronic acid(4-(4-Pentylcyclohexyl)phenyl)boronic acid4-(TRANS-4-PENTYLCYCLOHEXYL) PHENYL BORONIC ACIDMFCD09750938[4-(trans-4-n-Pentylcyclohexyl)phenyl]boronic acidBoronic acid, B-[4-(4-pentylcyclohexyl)phenyl]-
이름 더 보기
4-(TRANS-4-펜틸사이클로헥실)페닐보론산4-pentylcyclohexylphenylboronic acidtrans-[4-(4-pentylcyclohexyl)phenyl]boronic acidBoronic acid, [4-(trans-4-pentylcyclohexyl)phenyl]-
4-(4-PENTYLCYCLOHEXYL)PHENYLBORONIC ACID, 97per cent(4-(trans-4-Pentylcyclohexyl);phenyl);boronic acid4-(trans-4-Pentylcyclohexyl)phenylboronic Acid (contains varying amounts of Anhydride)P23634-(trans-4-pentylcyclohexyl)benzeneboronic acid4-(4-pentylcyclohexyl)phenylboronic acidBoronic acid, [4-(4-pentylcyclohexyl)phenyl]-4-(4-PENTYLCYCLOHEXYL)PHENYLBORONIC ACID, 97%
데이터베이스 식별자
- CAS
143651-26-7- PubChem CID
- 3696091
- DTXSID
DTXSID70931978- EC Number
- 811-156-1
- Nikkaji
- J1.637.721J
물성
구조 계산 물성
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 254
물리화학적 성질
- 끓는 점
- 421.1 · 421.1±38.0 °C(Predicted)
- 밀도
- 1.01 · 1.01
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 8.7 · 8.70±0.17(Predicted)
- 색상
- 흰색에서 거의 흰색
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- HS 번호
- 2931900090
화학 및 산업
공급사50 곳
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