(2-Carboxyethyl)triphenylphosphonium bromide

HCID 2733850CAS 51114-94-4

基本情報

標準SMILES: O=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: BVKRDNIULHRLCO-UHFFFAOYSA-N
分子式: C21H20BrO2P
平均分子量: 415.3 g/mol

名称と識別子

優先名称: (2-Carboxyethyl)triphenylphosphonium bromide
IUPAC: 2-carboxyethyl(triphenyl)phosphanium bromide

名称と別名

(2-Carboxyethyl)triphenylphosphonium bromideRefChem:395566610-613-051114-94-4MFCD000316982-Carboxyethyl triphenylphosponium bromideNSC84145(2-CARBOXYETHYL)TRIPHENYLPHOSPHONIUMBROMIDE2-carboxyethyl(triphenyl)phosphanium;bromide2-carboxyethyl(triphenyl)phosphonium bromide(2-carboxyethyl)triphenylphosphanium bromideNSC-84145

名称をさらに表示

Phosphonium, (2-carboxyethyl)triphenyl-, bromideSCHEMBL174432CHEMBL1970728BVKRDNIULHRLCO-UHFFFAOYSA-N2-carboxyethyl(triphenyl)phosphaniumBCA11494CS-M0693MSK168126

データベース識別子

CAS: 51114-94-4
PubChem CID: 2733850
ChEMBL: CHEMBL1970728
EC Number: 610-613-0

物性

構造計算による物性

極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 25
形式電荷: 0
複雑度: 345

安全と法規制

GHS分類

GHS Classification · 4 件

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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.