CAS 78133-84-3 (2-Aminobenzyl)triphenylphosphonium bromide (HCID 10961315)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 78133-84-3
표준 SMILES: Nc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: FBTZMAUPYYNVPM-UHFFFAOYSA-M
분자식: C25H23BrNP
평균 분자량: 448.3 g/mol
단동위원소 질량: 447.07514847

개요

structure in first source

이름 및 식별자

우선 이름: (2-Aminobenzyl)triphenylphosphonium bromide
IUPAC: (2-aminophenyl)methyl-triphenylphosphanium bromide
현지명: (2-아미노벤질)트리페닐포스포늄브로마이드
영어명: (2-Aminobenzyl)triphenylphosphonium bromide
분자식: C25H23BrNP
분자량: 448.33

이름 및 동의어

(2-Aminobenzyl)triphenylphosphonium bromide78133-84-3DTXSID50449889RefChem:68566DTXCID70400710624-626-4[(2-AMINOPHENYL)METHYL]TRIPHENYLPHOSPHANIUM BROMIDE(2-aminophenyl)methyl-triphenylphosphanium;bromideC25H23BrNPSCHEMBL1465677AKOS0243190022-aminobenzyltriphenylphosphonium bromide

이름 더 보기

(2-아미노벤질)트리페닐포스포늄브로마이드(2-aminophenyl)methyl-triphenylphosphanium(2-Aminobenzyl)triphenylphosphonium bromide 97%(2-aminophenyl)methyl]triphenylphosphanium bromide

(2-Aminobenzyl)triphenylphosphoniumbromideFA177474triphenyl(2-aminobenzyl)phosphonium bromideDB-017918CS-0236220ST50409053G77794EN300-1697756

데이터베이스 식별자

CAS: 78133-84-3
PubChem CID: 10961315
DTXSID: DTXSID50449889

물성

구조 계산 물성

극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 28
형식 전하: 0
복잡도: 386

물리화학적 성질

녹는점: 245 °C · 245 °C (dec.)(lit.)
InChI: 1S/C25H23NP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20,26H2;1H/q+1;/p-1
InChIKey: FBTZMAUPYYNVPM-UHFFFAOYSA-M
SMILES: [Br-].Nc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4

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 39 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Reactant for:Intramolecular Wittig reactionPreparation of 2,3-disubstituted indolesPreparation of pyrrolocarbazoles as poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors