1-ブロモ-4-ヨード-2-メトキシベンゼン

1-Bromo-4-iodo-2-methoxybenzene

HCID 12187202CAS 755027-18-0

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cc(I)ccc1Br
InChIKey: PIPWNWZBTWYPJB-UHFFFAOYSA-N
分子式: C7H6BrIO
平均分子量: 312.93 g/mol
単同位体質量: 311.86467

名称と識別子

優先名称: 1-Bromo-4-iodo-2-methoxybenzene
IUPAC: 1-bromo-4-iodo-2-methoxybenzene
現地名: 1-ブロモ-4-ヨード-2-メトキシベンゼン
英語名: 2-Bromo-5-iodoanisole
分子式: C7H6BrIO
分子量: 312.93

名称と別名

1-bromo-4-iodo-2-methoxybenzene755027-18-0RefChem:430649616-227-92-Bromo-5-iodoanisoleBenzene,1-bromo-4-iodo-2-methoxy-MFCD07780651BENZENE, 1-BROMO-4-IODO-2-METHOXY-1-Bromo-4-iodo-2-methoxy-benzene4-bromo-3-methoxyiodobenzene2-Bromo-5-iodophenyl methyl etherSCHEMBL629513

名称をさらに表示

1-ブロモ-4-ヨード-2-メトキシベンゼン2-Bromo-5-iodoanisole 98%2-bromo-5-iodophenyl ether2-iodine-5-bromophenyl ether1-Bromo-4-iodo-2-methoxybenzene, 2-Bromo-5-iodophenyl methyl ether

bromo-4-iodo-2-methoxybenzeneSCHEMBL29041372SCHEMBL29426958DTXSID60479672PIPWNWZBTWYPJB-UHFFFAOYSA-NAKOS015835289FB64625AC-28587

データベース識別子

CAS: 755027-18-0
PubChem CID: 12187202
DTXSID: DTXSID60479672
EC Number: 616-227-9

物性

構造計算による物性

XLogP: 3.2
極性表面積: 9.2 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: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

沸点: 293.7 · 293.7±20.0 °C(Predicted)
比重(密度): 2.062 · 2.062
貯蔵温度: 2 · Keep in dark place,Sealed in dry,2-8°C
外見: crystalline needles
色: Faint yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.