3-ブロモ-4-ヨードトルエン

3-Bromo-4-iodotoluene

HCID 626634

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 71838-16-9
標準SMILES: Cc1ccc(I)c(Br)c1
InChIKey: PLAKKSAFIZVHJP-UHFFFAOYSA-N
分子式: C7H6BrI
平均分子量: 296.93 g/mol
単同位体質量: 295.86976

名称と識別子

優先名称: 3-Bromo-4-iodotoluene
IUPAC: 2-bromo-1-iodo-4-methylbenzene
現地名: 3-ブロモ-4-ヨードトルエン
英語名: 3-BROMO-4-IODOTOLUENE
分子式: C7H6BrI
分子量: 296.93

名称と別名

3-Bromo-4-iodotoluene71838-16-9DTXSID80347849RefChem:498672DTXCID60298921674-072-22-Bromo-1-iodo-4-methylbenzene1-bromo-2-iodo-5-methylbenzeneMFCD00079718Benzene, 2-bromo-1-iodo-4-methyl-2-bromo-1-iodo-4-methyl-benzeneAKOS015834647

名称をさらに表示

3-ブロモ-4-ヨードトルエン2-ブロモ-1-ヨード-4-メチルベンゼン

CS-W019589AS-19885SY014476B5284D701252-Bromo-4-methyliodobenzeneA837341SCHEMBL2722113

データベース識別子

CAS: 71838-16-9
PubChem CID: 626634
DTXSID: DTXSID80347849
EC Number: 674-072-2
Nikkaji: J1.995.266E

物性

構造計算による物性

XLogP: 3.6
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: 0
重原子数: 9
形式電荷: 0
複雑度: 94

物理化学的性質

融点: 265 · 265-267 °C
沸点: 133 °C · 133 °C
比重(密度): 2 · 2,08 g/cm3
屈折率: 1.65 · 1.65
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
色: Light yellow to Brown
比重: 2.08 · 2.08
InChI: InChI=1S/C7H6BrI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey: PLAKKSAFIZVHJP-UHFFFAOYSA-N
SMILES: C1(I)=CC=C(C)C=C1Br
CAS データベース: 71838 · 71838-16-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, P317, 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 4 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.