기본 정보
- 표준 SMILES
[Cl][Ni][Cl].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1- InChIKey
ZBQUMMFUJLOTQC-UHFFFAOYSA-L- 분자식
- C27H26Cl2NiP2
- 평균 분자량
- 542 g/mol
- 단동위원소 질량
- 540.024022
이름 및 식별자
- 우선 이름
- Dichloro(1,1'-(1,3-propanediyl)bis(1,1-diphenylphosphine-kappaP))nickel
- IUPAC
- dichloronickel;3-diphenylphosphanylpropyl(diphenyl)phosphane
- 현지명
- [1,3- 비스 (디 페닐 포스 피노) 프로판] 디클로로 니켈 (II)
- 영어명
- [1,3-Bis(diphenylphosphino)propane]nickel(II) chloride
- 분자식
- C27H26Cl2NiP2
- 분자량
- 542.04
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
15629-92-2- PubChem CID
- 2724937
- EC Number
- 605-052-3
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 353
물리화학적 성질
- 녹는점
- 213 °C · 213 °C (dec.)(lit.)
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 수정 같은
- 색상
- 빨간색
- 수용성
- 불용성
- InChI
- InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
- InChIKey
- ZBQUMMFUJLOTQC-UHFFFAOYSA-L
- SMILES
- P(C1=CC=CC=C1)(CCCP(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1.[Ni](Cl)Cl
화학적 성질
red to red-brown powder or crystals
안전 및 규제
GHS 분류
GHS Classification
Danger
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (34.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (98.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H350 (92.6%): May cause cancer [Danger Carcinogenicity]
P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 121 reports by companies from 9 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
규제 정보
안전 데이터
- wgk
- 3
- tsca
- No
- ridadr
- 3282
- HS 번호
- 29319090
- risk_code
- 49-36/37/38-42/43-40
- hazard_code
- T,Xn
- safety_code
- 53-26-36/37/39-45-24-22
- F 고인화성물질
- 10-21
- Hazard Classifications
- Carc. 1AEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도[1,3-Bis(diphenylphosphino)propane]nickel(II) chloride is used as an effective catalyst for Kumada coupling and Suzuki reactions. It also catalyzes other reactions to convert enol ethers, dithioacetals and vinyl sulfides to olefins. Further, it is used as a catalyst for preparation of block-copolythiophenes and solid state metathesis polycondensation.
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
불러오는 중…