트리 시클로 헥실 포스 포늄 테트라 플루오로 보레이트

Tricyclohexylphosphonium Tetrafluoroborate

HCID 11710396

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 58656-04-5
표준 SMILES: C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.F[B-](F)(F)F
InChIKey: MYSMMEUXKHJYKH-UHFFFAOYSA-O
분자식: C18H34BF4P
평균 분자량: 368.2 g/mol
단동위원소 질량: 368.242731

이름 및 식별자

우선 이름: Tricyclohexylphosphonium Tetrafluoroborate
IUPAC: tricyclohexylphosphanium tetrafluoroborate
현지명: 트리 시클로 헥실 포스 포늄 테트라 플루오로 보레이트
영어명: Tricyclohexylphosphonium tetrafluoroborate
분자식: C18H34BF4P
분자량: 368.24

이름 및 동의어

TRICYCLOHEXYLPHOSPHONIUM TETRAFLUOROBORATE58656-04-5DTXSID50470991RefChem:386031DTXCID10421808672-607-4Tricyclohexylphosphine tetrafluoroborateMFCD03840580C18H34BF4Ptricyclohexylphosphanium;tetrafluoroborateTRICYCLOHEXYLPHOSPHINE TETRAFLUROBORATEtricyclohexylphosphoniumtetrafluoroborate

이름 더 보기

트리시클로헥실포스포늄테트라플루오로보레이트트리사이클로헥실포스핀테트라플루오로보레이트Tricyclohexylphosphine tetrafluroborate Pcy3 HBF4phosphonium tetrafLtricyclohexylphosphaniumTRICYCLOHEXYLPHOSPHONIUM TETRATricyclohexylphosphine tetrofluroborateTricyclohexylphosphanium tetrafluoroborate

Tricyclohexylphosphonium (tetrafluoroborate)tetrafluoroboranuide tricyclohexylphosphaniumtetrafluoroboranuide; tricyclohexylphosphaniumTri(cyclohexyl)phosphine tetrafluoroborate; PCy3.HBF4PCy3.HBF4SCHEMBL241581MYSMMEUXKHJYKH-UHFFFAOYSA-OAKOS008901221

데이터베이스 식별자

CAS: 58656-04-5
PubChem CID: 11710396
DTXSID: DTXSID50470991
EC Number: 672-607-4

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 24
형식 전하: 0
복잡도: 221

물리화학적 성질

녹는점: 164 °C · 164 °C(lit.)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 디클로로메탄(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 가루
색상: 하얀색
수용성: 물에 용해됩니다.
InChI: InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1
InChIKey: KZGFMSRKDNYVKL-UHFFFAOYSA-N
SMILES: [PH+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B-](F)(F)(F)F

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (44.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (44.4%)

안전 데이터

wgk: 3
tsca: No
ridadr: 1759
HS 번호: 29209090
risk_code: 36/37/38
safety_code: 22-24/25
포장분류: III
위험 등급: 8
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Tricyclohexylphosphonium Tetrafluoroborate acts as a reagent in the synthesis of potent JAK2 inhibitor BMS-911543 as a potential treatment for myeloproliferative disorders, preparation of Lapatinib intermediate via arylation of furfural with bromochlorofluorobenzyloxyphenylquinazolinamine, structure-activity relationships of carboline and carbazole derivatives as ATP-competitive kinesin spindle protein inhibitors.

일반 설명Tricyclohexylphosphine tetrafluoroborate (PCy3·HBF4) is an inexpensive and air-stable phosphine ligand, commonly used in cross-coupling reactions.