Cyclopropyltriphenylphosphonium bromide

HCID 2723931CAS 14114-05-7

기본 정보

표준 SMILES: [Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CC2)cc1
InChIKey: XMPWFKHMCNRJCL-UHFFFAOYSA-M
분자식: C21H20BrP
평균 분자량: 383.3 g/mol
단동위원소 질량: 382.04859937

이름 및 식별자

우선 이름: Cyclopropyltriphenylphosphonium bromide
IUPAC: cyclopropyl(triphenyl)phosphanium bromide
영어명: CYCLOPROPYLTRIPHENYLPHOSPHONIUM BROMIDE
분자식: C21H20BrP
분자량: 383.26

이름 및 동의어

Cyclopropyltriphenylphosphonium bromideNSC 110599EINECS 237-970-1Phosphonium, cyclopropyltriphenyl-, bromide (1:1)Phosphonium, cyclopropyltriphenyl-, bromideRefChem:581244237-970-114114-05-7MFCD00011872cyclopropyl(triphenyl)phosphanium;bromidecyclopropyl(triphenyl)phosphonium bromideNSC110599

이름 더 보기

Phosphonium, cyclopropyltripCYCLOPROPYLTRIPHENYLPHOSPHONIUM BROMIcyclopropyltriphenylphosphanium bromideCYCLOPROPANE TRIPHENYLPHOSPHONIUM BROMIDECyclopropyltriphenylphosphonium bromide 98%Cyclopropyltriphenylphosphonium Bromide >Cyclopropyltriphenylphosphonium bromide, 98+%

AKOS005216619cyclopropyltriphenyl-phosphonium bromideNSC-110599SY112004cyclopropyl(triphenyl)phosphanium bromideFT-0604895cyclopropyl triphenylphosphonA853172

데이터베이스 식별자

CAS: 14114-05-7
PubChem CID: 2723931
DTXSID: DTXSID40931001
EC Number: 237-970-1

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 295

물리화학적 성질

녹는점: 178 · 178-181 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
색상: 흰색에서 거의 흰색
수용성: 물에 용해됩니다.
BRN: 6413483 · 6413483
InChI: 1S/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKey: XMPWFKHMCNRJCL-UHFFFAOYSA-M
SMILES: [Br-].C1CC1[P+](c2ccccc2)(c3ccccc3)c4ccccc4

화학적 성질

white to slightly yellowish crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhosphonium, cyclopropyltriphenyl-, bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
F 고인화성물질: 3-10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Cyclopropyltriphenylphosphonium bromide has cytotoxic activity against the growth of tissue culture cells originating from human epidermoid carcinoma of the nasopharynx (KB). It is commonly used as a Wittig reagent.