기본 정보
- CAS
247940-06-3- 표준 SMILES
c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1- InChIKey
LCSNDSFWVKMJCT-UHFFFAOYSA-N- 분자식
- C24H31P
- 평균 분자량
- 350.5 g/mol
- 단동위원소 질량
- 350.21633799
이름 및 식별자
- 우선 이름
- 2-(Dicyclohexylphosphino)biphenyl
- IUPAC
- dicyclohexyl-(2-phenylphenyl)phosphane
- 현지명
- 2- (디 사이클로 헥실 포스 피노)) -1,1'- 비 페닐
- 영어명
- 2-(Dicyclohexylphosphino)biphenyl
- 분자식
- C24H31P
- 분자량
- 350.48
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
247940-06-3- PubChem CID
- 2734216
- DTXSID
DTXSID60370170- EC Number
- 480-030-2、607-439-2
- Nikkaji
- J1.200.103G、J3.476.307K
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 356
물리화학적 성질
- 녹는점
- 102 · 102-106 °C(lit.)
- 끓는 점
- 499.5 · 499.5±24.0 °C(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 톨루엔에 용해됨
- 물리적 상태
- 수정 같은
- 색상
- 하얀색
- BRN
- 8440533 · 8440533
- InChI
- InChI=1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
- InChIKey
- LCSNDSFWVKMJCT-UHFFFAOYSA-N
- SMILES
- P(C1=CC=CC=C1C1=CC=CC=C1)(C1CCCCC1)C1CCCCC1
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (13.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (88.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (13.3%);Eye Irrit. 2 (13.3%);STOT SE 3 (13.3%);Aquatic Chronic 4 (88.9%)
Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%);Aquatic Chronic 4 (100%)
규제 정보
안전 데이터
- wgk
- 3
- tsca
- No
- HS 번호
- 29310099
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- 위험 등급
- AIR SENSITIVE
- F 고인화성물질
- 10-13-23
- Hazard Classifications
- Aquatic Chronic 4
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요2-(Dicyclohexylphosphino)biphenyl is a ligand for the amination of triflates and aryl halides. Optimal ligand for a novel amination reaction (Buchwald reaction)(2) 2-(Dicyclohexylphosphino)biphenyl, a synthetic chemical compound, has found diverse applications in scientific research. Being a cyclic phosphonate derivative of cyclohexanol, this colourless, odourless, and tasteless solid holds a distinct appeal for laboratory use. In scientific research, 2-(Dicyclohexylphosphino)biphenyl has proven invaluable. It serves as an excellent model compound for delving into protein-ligand interactions, thus aiding in studying small molecule effects on protein folding. Moreover, researchers have utilized 2-(Dicyclohexylphosphino)biphenyl to gain insights into protein structures and unravel the mechanism of action behind various drugs. Additionally, the compound has been a vital tool in assessing how environmental factors influence protein structure and function. The interaction between 2-(Dicyclohexylphosphino)biphenyl and proteins primarily occurs through hydrogen bonding and hydrophobic interactions, resulting in high-affinity and specific protein binding.
용도2-(Dicyclohexylphosphino)biphenyl is used as a catalyst for Suzuki coupling reactions.
일반 설명CyJohnPhos [(2-Biphenyl)dicyclohexylphosphine] is an air-stable, bulky and electron-rich monodentate biarylphosphine ligand developed by the Buchwald group to enhance the reactivity of palladium catalysis during cross-coupling reactions.
상·하류 제품 정보
상류 원료
공급사100 곳
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