トリブチルヘキサデシルホスホニウムブロミド

Hexadecyltributylphosphonium bromide

HCID 84716CAS 14937-45-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M
分子式: C28H60P.Br
平均分子量: 507.7 g/mol
単同位体質量: 506.36160065

概要

a selective nuclear factor of activated T cells (NFAT) signaling inhibitor; structure in first source

名称と識別子

優先名称: Hexadecyltributylphosphonium bromide
IUPAC: tributyl(hexadecyl)phosphanium bromide
現地名: トリブチルヘキサデシルホスホニウムブロミド
英語名: Cetyltributylphosphonium bromide
分子式: C28H60BrP
分子量: 507.67

名称と別名

14937-45-2Tributylhexadecylphosphonium bromideHexadecyltributylphosphonium bromidePhosphonium, tributylhexadecyl-, bromidePhosphonium, tributylhexadecyl-, bromide (1:1)DTXSID50884776THPB compoundRefChem:786058DTXCID301024200239-014-9tributyl(hexadecyl)phosphonium bromideCETYLTRIBUTYLPHOSPHONIUM BROMIDE

名称をさらに表示

トリブチルヘキサデシルホスホニウムブロミドトリブチルヘキサデシルホスホニウム·ブロミドトリブチル(ヘキサデシル)ホスホニウム·ブロミドヘキサデシルトリブチルホスホニウム·ブロミドセチルトリブチルホスホニウム·ブロミドトリブチルヘキサデシルホスホニウムブロミドnヘキサデシルトリnブチルホスホニウムブロミドセチルトリブチルホスホニウムブロミドヘキサデシルトリブチルホスホニウムブロミドヘキサデシルトリ-N-ブチルホスホニウムブロミドヘキサデシルトリブチルアンモニウムブロミドブロモトリブチルヘキサデシルアザニウムTBHDPBtri-n-butylhexadecylphosphonium bromideHISHICOLIN PX-416BTributyl(hexadecyl)Hexadecyl tributyl pCetyltributyl phosphorus bromidetributyl(cetyl)phosphonium bromide

tributyl(hexadecyl)phosphanium bromideMFCD00011775C28H60BrPtributyl(hexadecyl)phosphanium;bromideHexadecyl tributyl phosphonium bromideTRIBUTYL(HEXADECYL)PHOSPHONIUM;BROMIDEcetyl tributyl phosphonium bromidehexadecyl tributylphosphonium bromide

データベース識別子

CAS: 14937-45-2
PubChem CID: 84716
DTXSID: DTXSID50884776
ChEMBL: CHEMBL110738、CHEMBL380900
EC Number: 239-014-9

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 24
重原子数: 30
形式電荷: 0
複雑度: 277

実験および物理化学的性質

Chemical ClassesOther Classes -> Phosphorus Compounds

Physical DescriptionWhite hygroscopic powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 56 · 56-58 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 0.1 g/mL、透明 · メタノール: 0.1 g/mL、透明
外見: 結晶
色: 白い
BRN: 4167404 · 4167404
InChI: InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M
SMILES: [P+](CCCC)(CCCC)(CCCC)CCCCCCCCCCCCCCCC.[Br-]
CAS データベース: 14937 · 14937-45-2(CAS DataBase Reference)
EPAの化学物質情報: Phosphonium, tributylhexadecyl-, bromide (14937-45-2)

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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Phosphonium, tributylhexadecyl-, bromide

Phosphonium, tributylhexadecyl-, bromide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzyltriphenylphosphonium bromide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 21
wgk: 3
tsca: TSCA listed
hs_code: 2931599090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationPhosphonium, tributylhexadecyl-, bromide (1:1): ACTIVE

応用分野 · 1 件

使用Tributylhexadecylphosphonium Bromide (CAS# 14937-45-2) is a dynamic compound used as a surface modifier for thermal properties of palygorskite, an additive in water to improve resistance of epoxy-anhydride matrices, and as a modifier of phenolic resin to improve thermal degradation.

調製方法

製造方法Cetyltributylphosphonium bromide is prepared by heating equimolar amounts of 1-bromohexadecane and Tri-n-butylphosphine at 65 °C for 3 days (yield 68%).