CAS 116129-34-1 11-Bromo-1-undecanethiol (HCID 21477418)

基本情報

CAS: 116129-34-1
標準SMILES: SCCCCCCCCCCCBr
InChIKey: IKVISLWYYHGTTN-UHFFFAOYSA-N
分子式: C11H23BrS
平均分子量: 267.27 g/mol
単同位体質量: 266.07038

名称と識別子

優先名称: 11-Bromo-1-undecanethiol
IUPAC: 11-bromoundecane-1-thiol
現地名: 11-ブロモ-1-ウンデカンチオール
英語名: 11-BroMo-1-undecanethiol
分子式: C11H23BrS
分子量: 267.27

名称と別名

11-Bromo-1-undecanethiolRefChem:437219631-223-711-Bromoundecane-1-thiol116129-34-11-Undecanethiol, 11-bromo-C11H23BrSSCHEMBL420348DTXSID0061440411-Bromo-1-undecanethiol, 99%MFCD12406810AS-79987

名称をさらに表示

11-ブロモ-1-ウンデカンチオール11-Bromo-1-undecanethiol 99%

H37004F865529

データベース識別子

CAS: 116129-34-1
PubChem CID: 21477418
DTXSID: DTXSID00614404
EC Number: 631-223-7
Nikkaji: J1.075.420H

物性

構造計算による物性

XLogP: 5.4
極性表面積: 1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 10
重原子数: 13
形式電荷: 0
複雑度: 86

物理化学的性質

比重(密度): 1.128 g/mL · 1.128 g/mL at 25 °C
屈折率: 20 · n20/D1.501
貯蔵温度: -20 °C · -20°C
外見: liquid
InChI: 1S/C11H23BrS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2
InChIKey: IKVISLWYYHGTTN-UHFFFAOYSA-N
SMILES: SCCCCCCCCCCCBr

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 4 (100%)

安全データ

wgk: 3
ridadr: UN 3334
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Aquatic Chronic 4Eye 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 · 2 件

使用BrUDT forms a protective SAM on gold nanoparticles, which can be potentially used in biomedical applications for the fabrication of in vivo sensors. It can also be mixed with dodecanethiol, which can be coated on gold nanoparticles for the synthesis of gasotransmitters.

一般的な説明11-Bromo-1-undecanethiol (BrUDT) is a bromo-terminated alkanethiol that forms a self-assembled monolayer(SAM) on a variety of surfaces. It can modify the surface characteristics by forming a bond between the sulfur groups and surface atoms.