기본 정보
- 표준 SMILES
CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]- InChIKey
MXQOYLRVSVOCQT-UHFFFAOYSA-N- 분자식
- C24H54P2Pd
- 평균 분자량
- 511.1 g/mol
- 단동위원소 질량
- 510.27356
이름 및 식별자
- 우선 이름
- Bis(tri-tert-butylphosphine)palladium(0)
- IUPAC
- palladium;bis(tritert-butylphosphane)
- 영어명
- Bis(tri-tert-butylphosphine)palladium(0)
- 분자식
- C24H56P2Pd
- 분자량
- 513.08
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
53199-31-8- PubChem CID
- 2734558
- DTXSID
DTXSID80370359- EC Number
- 640-284-9
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 128
물리화학적 성질
- 녹는점
- 300 °C · >300 °C
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- 크리스탈
- 색상
- 황백색에서 주황색 갈색까지
- 수용성
- 불용성
- InChI
- InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3;/q;;-2/p+2
- InChIKey
- XULQKWNZCKOVSU-UHFFFAOYSA-P
- SMILES
- P(C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[Pd]P(C(C)(C)C)(C(C)(C)C)C(C)(C)C
화학적 성질
Off white crystalline solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H228 (69.7%): Flammable solid [Danger Flammable solids];H251 (66.7%): Self-heating; may catch fire [Danger Self-heating substances and mixtures];H302+H312+H332 (66.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (75.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (75.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (97%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (75.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (27.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P210, P235, P240, P241, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 33 reports by companies from 8 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
안전 데이터
- wgk
- 3
- tsca
- No
- HS 번호
- 28439000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Bis(tri-tert-butylphosphine)palladium(0) is used in Coupling reactions, Heck couplings. It acts as a palladium catalyst for reductive carbonylation.
일반 설명This product has been enhanced for catalytic efficiency.
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
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