4-ブロモ-2-エチルヨードベンゼン

4-Bromo-2-ethyl-1-iodobenzene

HCID 2761396

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 175278-30-5
標準SMILES: CCc1cc(Br)ccc1I
InChIKey: JWKQXPHYKRQLEJ-UHFFFAOYSA-N
分子式: C8H8BrI
平均分子量: 310.96 g/mol
単同位体質量: 309.88541

名称と識別子

優先名称: 4-Bromo-2-ethyl-1-iodobenzene
IUPAC: 4-bromo-2-ethyl-1-iodobenzene
現地名: 4-ブロモ-2-エチルヨードベンゼン
英語名: 4-Bromo-2-ethyliodobenzene
分子式: C8H8BrI
分子量: 310.96

名称と別名

4-bromo-2-ethyl-1-iodobenzene175278-30-54-Bromo-2-ethyliodobenzeneDTXSID20375742RefChem:519644DTXCID80326770681-394-7Benzene, 4-bromo-2-ethyl-1-iodo-MFCD002214584-bromo-2-ethyl-1-iodo-benzene1-iodo-2-ethyl-4-bromobenzeneAKOS015890181

名称をさらに表示

4-ブロモ-2-エチルヨードベンゼン4-ブロモ-2-エチル-1-ヨードベンゼン2-Iodine-5-bromoethylbenzene4-BROMO-2-ETHYL-1-IODOBENZENE,97%4-Bromo-2-ethyl-1-iodobenzene, 97%, stabilized4-BroMo-2-ethyl-1-iodobenzene, stab. with copper4-Bromo-2-ethyl-1-iodobenzene, stabilized with copper4-BroMo-2-ethyl-1-iodobenzene, 97%, stab. with copper

FS-4168SY0210735-Bromo-2-iodo-1-ethylbenzeneFT-06436994-bromo-2-ethyl-iodobenzeneA812053SCHEMBL515201SCHEMBL29133633

データベース識別子

CAS: 175278-30-5
PubChem CID: 2761396
DTXSID: DTXSID20375742
EC Number: 681-394-7

物性

構造計算による物性

XLogP: 4.1
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: 10
形式電荷: 0
複雑度: 105

物理化学的性質

沸点: 84 · 84-86°C 0,4mm
比重(密度): 1.937 · 1.937±0.06 g/cm3(Predicted)
闪点: 84 · 84-86°C/0.4mm
貯蔵温度: Sealed in dry,Room Temperature
InChI: InChI=1S/C8H8BrI/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3
InChIKey: JWKQXPHYKRQLEJ-UHFFFAOYSA-N
SMILES: C1(I)=CC=C(Br)C=C1CC
CAS データベース: 175278 · 175278-30-5(CAS DataBase Reference)

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]

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 7 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.