4-Bromotriphenylamine (HCID 642838)

名称と識別子

優先名称: 4-Bromotriphenylamine
IUPAC: 4-bromo-N,N-diphenylaniline
現地名: 4-ブロモトリフェニルアミン
英語名: 4-Bromotriphenylamine
分子式: C18H14BrN
分子量: 324.21

名称と別名

4-Bromotriphenylamine36809-26-4DTXSID40349081RefChem:520592DTXCID00300153628-532-44-bromo-N,N-diphenylaniline(4-Bromophenyl)diphenylamine(4-Bromo-phenyl)-diphenyl-amine4-bromo triphenylaminebenzenamine, 4-bromo-N,N-diphenyl-MFCD01851266

名称をさらに表示

4-ブロモトリフェニルアミン4‐ブロモトリフェニルアミン(4-ブロモフェニル)ジフェニルアミン4-ブロモ-N,N-ジフェニルアニリン4-ブロモトリフェニルアミン, 92%N-(4-ブロモフェニル)ジフェニルアミンジフェニル(4-ブロモフェニル)アミンN,N-ジフェニル-4-ブロモベンゼンアミン1-ブロモ-4-(ジフェニルアミノ)ベンゼンN,N-ジフェニル-4-ブロモアニリンBromotriphenylamineK00624-BTPA4-BromotriphenyL4-Bromotrienidine4-Bromotrianiline4-BROOTRIPHENYLAMINE4- broMothree aniline

(p-bromophenyl)diphenylamineAKOS015835633(4-Bromophenyl)diphenylamine;4-bromotriphenylamine 4-bromo-N,N-diphenylanilineN,N-diphenyl-4-bromoaniline4-bromo-n,n-diphenyl-aniline4bromotriphenylaminen-(4-bromophenyl)-n-phenylbenzenamine4-bromophenyldiphenylamine

データベース識別子

CAS: 36809-26-4
PubChem CID: 642838
DTXSID: DTXSID40349081
EC Number: 628-532-4
Nikkaji: J1.502.673A

物性

構造計算による物性

XLogP: 6.4
極性表面積: 3.2 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: 3
重原子数: 20
形式電荷: 0
複雑度: 255

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: 108 · 108-112 °C (lit.)
沸点: 185 °C · 185 °C / 2.5mmHg
比重(密度): 1.369 · 1.369±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Toluene
外見: powder to crystal
酸解離定数(Pka): -3.66 · -3.66±0.30(Predicted)
色: White to Almost white
InChI: InChI=1S/C18H14BrN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKey: SQTLUXJWUCHKMT-UHFFFAOYSA-N
SMILES: C1(N(C2=CC=CC=C2)C2=CC=CC=C2)=CC=C(Br)C=C1
CAS データベース: 36809 · 36809-26-4(CAS DataBase Reference)

化学的性質

化学的特性White powder or crystal

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
hs_code: 29214200
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明4-Bromotriphenylamine (BTPA) is a bromoaniline compound that can be used as a polymer monomer. Its copolymerisation with p-triphenyl and N-methyl-1-piperidone yields a series of poly(4-bromotriphenylamine-co-p-triphenylpiperidinium) (PBTTP-x) copolymers. The rigid and rotatable BTPA units exhibit a triangular pyramidal geometry, which both generates steric hindrance to suppress polymer chain entanglement and creates additional free volume. Furthermore, the introduction of the BTPA monomer enables efficient ion transport whilst protecting cationic groups from OH− attack via steric hindrance. PBTTP-x copolymers effectively enhance the performance of anion exchange membranes (AEMs)[2].