CAS 41492-05-1 1-Bromo-4-butylbenzene (HCID 521059)

名称と識別子

優先名称: 1-Bromo-4-butylbenzene
IUPAC: 1-bromo-4-butylbenzene
現地名: 1-ブロモ-4-ブチルベンゼン
英語名: 1-Bromo-4-butylbenzene
分子式: C10H13Br
分子量: 213.11

名称と別名

1-Bromo-4-butylbenzene41492-05-1DTXSID10334540RefChem:430620DTXCID20285630472-210-41-Bromo-4-n-Butylbenzene4-Bromo-n-butylbenzeneMFCD000409344-n-ButylbromobenzeneBenzene, 1-bromo-4-butyl-P-BROMOBUTYLBENZENE

名称をさらに表示

1-ブロモ-4-ブチルベンゼン4-ブチルブロモベンゼン1‐ブロモ‐4‐ブチルベンゼン1-ブロモ-4-N-ブチルベンゼン1-ブロモ-4-(N-ブチル)ベンゼンP-ブロモブチルベンゼン1-ブロモ-4-n-ブチルベンゼン, 98%1-ブチル-4-ブロモベンゼン4-ブチル-1-ブロモベンゼン4PBr1-Bromo-4-butyLFor butylbenzene4-BROMOBUTYLBENZENE4-Butylbromobenzenep-Butylbromobenzene1-Bromo-4-butylbenzeBroMine toDing Jiben

1-Bromo-4-ButYl-Benzene4-butyl-bromobenzenep-bromo-n-butylbenzene4-1-Butylbromobenzene4-(butyl)phenylbromide1-bromo-4-butyl benzene1-Bromo-4-butylbenzene #4-(But-1-yl)bromobenzene

データベース識別子

CAS: 41492-05-1
PubChem CID: 521059
DTXSID: DTXSID10334540
EC Number: 472-210-4、609-932-8
Nikkaji: J730.044A

物性

構造計算による物性

XLogP: 4.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 93

物理化学的性質

融点: -25.5 °C · -25.5°C
沸点: 242 °C · 242°C
比重(密度): 1.208 g/mL · 1.208 g/mL at 25 °C(lit.)
蒸気圧: 2.2 Pa · 2.2Pa at 25℃
屈折率: 20 · n20/D 1.53(lit.)
闪点: 227 °F · 227 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: 液体
色: 無色透明～黄色
比重: 1.24 · 1.24
水溶解度: 450 μg/L · 450μg/L at 20℃
BRN: 2080263 · 2080263
InChI: 1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChIKey: BRGVKVZXDWGJBX-UHFFFAOYSA-N
SMILES: CCCCc1ccc(Br)cc1
LogP: 5.4 at · 5.4 at 25℃
CAS データベース: 41492 · 41492-05-1(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Bromo-n-butylbenzene(41492-05-1)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 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

Regulatory InformationStatus: Active Update: 09-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30315

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)；Eye Irrit. 2 (97.7%)；STOT SE 3 (97.7%)

Skin Irrit. 2 (100%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (33.3%)；Aquatic Acute 1 (33.3%)；Aquatic Chronic 1 (33.3%)

法規制情報

Regulatory InformationStatus: Active Update: 09-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30315

安全データ

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-37/39-36-24/25
hazard_class: IRRITANT
Hazard Classifications: Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成試薬。

使用1-Bromo-4-butylbenzene was used in the preparation of:4-(4-butylphenyl)-2-methylbut-3-yn-2-olteraaza- and hexaazacyclophane4-butyltriphenylamine, monomer required for the preparation of poly(4-butyltriphenylamine)

一般的な説明Phosphite or phosphine oxide ligand catalyzed Suzuki-Miyaura reaction of 2-pyridyl boron derivatives with 1-bromo-4-butylbenzene has been reported.