CAS 5089-33-8 4-Bromo-N,N-bis(trimethylsilyl)aniline (HCID 4092620)

基本情報

CAS: 5089-33-8
標準SMILES: C[Si](C)(C)N(c1ccc(Br)cc1)[Si](C)(C)C
InChIKey: YJYMZGDBOMZWSR-UHFFFAOYSA-N
分子式: C12H22BrNSi2
平均分子量: 316.38 g/mol
単同位体質量: 315.04741486

名称と識別子

優先名称: 4-Bromo-N,N-bis(trimethylsilyl)aniline
IUPAC: 4-bromo-N,N-bis(trimethylsilyl)aniline
現地名: 4-ブロモ-N,N-ビス(トリメチルシリル)アニリン
英語名: 4-BROMO-N,N-BIS(TRIMETHYLSILYL)ANILINE
分子式: C12H22BrNSi2
分子量: 316.38

名称と別名

4-Bromo-N,N-bis(trimethylsilyl)aniline5089-33-8DTXSID40399223RefChem:98165DTXCID90350081628-894-3N-(4-Bromophenyl)-1,1,1-trimethyl-N-(trimethylsilyl)silanamine4-Bromo-N,N-bistrimethylsilylanilineMFCD00191840N,N-bis(trimethylsilyl)-4-bromoanilineSilanamine, N-(4-bromophenyl)-1,1,1-trimethyl-N-(trimethylsilyl)-S02890

名称をさらに表示

N,N-ビス(トリメチルシリル)-4-ブロモアニリン4-ブロモ-N,N-ビス(トリメチルシリル)アニリンDK313EOS-60917-1,1,1-trimethyl-N-(trimethylsilyl)P-BROMO-N,N-BIS TRIMETHYL SILYL ANILINE4-Bromo-N,N-bis(trimethylsilyl)aniline 97%

N-(4-Bromophenyl)-1,1,1-trimethyl-N-(trimethylsilyl)silanamine; p-Bromo-N,N-bis(trimethylsilyl)aniline;N-(4-Bromophenyl)-1,1,1-trimethyl-N-(trimethylsilyl)silanamineC12H22BrNSi26NUH29EJ7JSCHEMBL381321YJYMZGDBOMZWSR-UHFFFAOYSA-NAKOS025286054n,n-bis(trimethylsilyl)-p-bromoanilineFS-6383

データベース識別子

CAS: 5089-33-8
PubChem CID: 4092620
DTXSID: DTXSID40399223
UNII: 6NUH29EJ7J
EC Number: 628-894-3
Nikkaji: J46.282I

物性

構造計算による物性

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: 16
形式電荷: 0
複雑度: 210

物理化学的性質

沸点: 156 · 156-158 °C/23 mmHg (lit.)
比重(密度): 1.121 g/mL · 1.121 g/mL at 25 °C (lit.)
屈折率: 1.514 · 1.514
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: liquid
酸解離定数(Pka): 5.54 · 5.54±0.50(Predicted)
比重: 1.121 · 1.121
InChI: InChI=1S/C12H22BrNSi2/c1-15(2,3)14(16(4,5)6)12-9-7-11(13)8-10-12/h7-10H,1-6H3
InChIKey: YJYMZGDBOMZWSR-UHFFFAOYSA-N
SMILES: [Si](C)(C)(C)N(C1=CC=C(Br)C=C1)[Si](C)(C)C

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 39 reports by companies from 2 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: No
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用4-Bromo-N,N-bis(trimethylsilyl)aniline is an N-protected aryl reagent used in the synthesis of:Hydrophilic conjugated porphyrin dimers for one-photon and two-photon photodynamic therapy.Functionalized organometallic polymer, poly(ferrocenylsilane).Borylanilines such as 4-(dimesitylboryl)aniline and 4-(dimesitylboryl)-3,5-dimethylaniline.Silicon-containing oligomeric poly(imido-amides) (PIAs).