기본 정보
- CAS
857356-94-6- 표준 SMILES
Cc1c(C)c(C)c(P(C(C)(C)C)C(C)(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1C- InChIKey
RCRYEYMHBHPZQD-UHFFFAOYSA-N- 분자식
- C33H53P
- 평균 분자량
- 480.7 g/mol
- 단동위원소 질량
- 480.38848833
이름 및 식별자
- 우선 이름
- Di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane
- IUPAC
- ditert-butyl-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
- 영어명
- 2-DI-TERT-BUTYLPHOSPHINO-3,4,5,6-TETRAM&
- 분자식
- C33H53P
- 분자량
- 480.75
이름 및 동의어
di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphanedi-tert-butyl(3,4,5,6-tetramethyl-2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneRefChem:586117813-582-3857356-94-6Di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-yl)phosphineMe4tButylXphos2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenylMFCD090384362-Di-t-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-tri-i-propylbiphenylditert-butyl-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane2-(di-tert-butylphosphino)-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl
이름 더 보기
Me4-t-BuXphos4MetBuXPhosMe4tButyLMe4-t-ButylXphosMe4tButylXphos 96%
2-DI-TERT-BUTYLPHOSPHINO-3,4,5,6-TETRAM&di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-yl)phosphane2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenylTetramethyl di-tBuXPhosdi-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethylbiphenyl-2-yl)phosphineC33H53PMe4-tBu-XphosTetramethyl tBuXPhos
데이터베이스 식별자
- CAS
857356-94-6- PubChem CID
- 11953610
- DTXSID
DTXSID90474599- EC Number
- 813-582-3
- Nikkaji
- J2.202.065J
물성
구조 계산 물성
- XLogP
- 9.9
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 600
물리화학적 성질
- 녹는점
- 168 · 168-172 °C
- 끓는 점
- 534.1 · 534.1±50.0 °C(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 수정 같은
- 색상
- 백색 미세 결정
- InChI
- InChI=1S/C33H53P/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16/h17-21H,1-16H3
- InChIKey
- RCRYEYMHBHPZQD-UHFFFAOYSA-N
- SMILES
- P(C(C)(C)C)(C(C)(C)C)C1=C(C)C(C)=C(C)C(C)=C1C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- 3
- tsca
- No
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37-60
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Ligand used in a palladium-catalyzed amidation of aryl chlorides.
상·하류 제품 정보
상류 원료
공급사100 곳
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