1-Bromo-2-ethylbenzene (HCID 16089)

名称と識別子

優先名称: 1-Bromo-2-ethylbenzene
IUPAC: 1-bromo-2-ethylbenzene
現地名: 1-ブロモ-2-エチルベンゼン
英語名: 2-Bromoethylbenzene
分子式: C8H9Br
分子量: 185.06

名称と別名

1-BROMO-2-ETHYLBENZENE1973-22-4o-BromoethylbenzeneBenzene, 1-bromo-2-ethyl-2-Ethylbromobenzene1-Bromo-2-EthYl-Benzene2-bromophenyl ethaneMFCD000000771-Bromo-2-ethyl benzene1-Bromo-2-ethylbenzene, 99%DTXSID20173402CS-W016966

名称をさらに表示

1-ブロモ-2-エチルベンゼン1-エチル-2-ブロモベンゼン2-ブロモ-1-エチルベンゼン2‐ブロモエチルベンゼンO-ブロモエチルベンゼンC8H9Br1-Bromo-2-ethyLBromoathylbenzene2-Brom-ethylbenzol2-Bromoethylbenzeneo-ethylbromobenzene1-Ethyl-2-brombenzol

Z12554573721-Ethyl-2-bromobenzene2-Bromo-1-ethylbenzeneEINECS 217-823-8Bromo-2-ethylbenzeneTBE7SE8H6Qbenzene, 1-bromo-2-ethylSCHEMBL155397

データベース識別子

CAS: 1973-22-4
PubChem CID: 16089
DTXSID: DTXSID20173402
UNII: TBE7SE8H6Q
EC Number: 217-823-8
Nikkaji: J99.474J

物性

構造計算による物性

XLogP: 3.5
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: 1
重原子数: 9
形式電荷: 0
複雑度: 80.6

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesBoiling point

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -56 °C · -56 °C
沸点: 199 °C · 199 °C(lit.)
比重(密度): 1.338 g/mL · 1.338 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.549(lit.)
闪点: 171 °F · 171 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light orange to Yellow
比重: 1.35 · 1.35
BRN: 1929735 · 1929735
Henry's Law Constant: 3 · 3.0×10-3 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
InChI: InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKey: HVRUGFJYCAFAAN-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC=C1CC
CAS データベース: 1973 · 1973-22-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-bromo-2-ethyl-(1973-22-4)

化学的性質

化学的特性Clear colourless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (93.8%): 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 48 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

Regulatory Information · 2 件

Chemical: Benzene, 1-bromo-2-ethyl-

Benzene, 1-bromo-2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Ethyl benzene.

Hazard Classes and CategoriesSkin Irrit. 2 (93.8%)

安全データ

F: 9
wgk: 3
ridadr: UN 3082 9/PG 3
hs_code: 29036990
risk_code: 36/37/38-51/53
消防法: 危-4-3-III
hazard_code: Xi,N,O
safety_code: 26-61-24/25
hazard_class: IRRITANT
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用1-Bromo-2-ethylbenzene may be used in the synthesis of:1-(2′-ethylphenyl)ethanolN-benzyl-P-(2-ethylphenyl)-P-phenylphosphinic amide4-(isopropyldimethylsilyl)-2-(2-ethylphenyl)pyridine5-amino-2′-ethyl -biphenyl-2-ol, used for modification of carbon paste electrode

一般的な説明1-Bromo-2-ethylbenzene is an organobromine compound.