3,4-(メチレンジオキシ)フェニルマグネシウムブロミド溶液

3,4-(Methylenedioxy)phenylmagnesium bromide solution

HCID 4429644

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 17680-04-5
標準SMILES: [Br-].[Mg+2].[c-]1ccc2c(c1)OCO2
InChIKey: KLRLIDQAFFVFCV-UHFFFAOYSA-M
分子式: C7H5BrMgO2
平均分子量: 225.32 g/mol
単同位体質量: 223.93233

名称と識別子

優先名称: 3,4-(Methylenedioxy)phenylmagnesium bromide solution
IUPAC: magnesium;5H-1,3-benzodioxol-5-ide;bromide
現地名: 3,4-(メチレンジオキシ)フェニルマグネシウムブロミド溶液
英語名: 3,4-(Methylenedioxy)phenylmagnesium bromide
分子式: C7H5BrMgO2
分子量: 225.32

名称と別名

17680-04-5DTXSID60403210RefChem:270663DTXCID90354064MFCD018637051,3-Benzodioxol-5-ylbromomagnesium3,4-METHYLENEDIOXYPHENYLMAGNESIUM BROMIDESCHEMBL281814SCHEMBL31436744JFUHZUGUHBLMLB-UHFFFAOYSA-M3,4-(Methylenedioxy)phenylmagnesium bromide, 0.50 M in 2-MeTHFAKOS015913146

名称をさらに表示

3,4-(メチレンジオキシ)フェニルマグネシウムブロミド溶液3,4-Methylenedioxyphenylmagnesiummagnesium,5H-1,3-benzodioxol-5-ide,bromide3,4-(Methylenedioxy)phenylmagnesium bromide3,4-(methylenedioxy)phenylmagnesium bromide solution3,4-(Methylenedioxy)phenylmagnesium bromide, 0.5M THF1,3-Benzodioxol-5-ylmagnesium bromide, 0.5 M in THF - [B31763]3,4-(Methylenedioxy)phenylMagnesiuM broMide, 1.0M solution in THF/toluene (1/1)3,4-(METHYLENEDIOXY)PHENYLMAGNESIUM BROM , 1.0M SOLUTION IN TOLUENE/THF (50:50)

1,3-benzodioxol-5-yl magnesium bromide3,4-methylenedioxyphenyl magnesium bromide3.4-methylene dioxy-phenyl-magnesium bromide1,3-Benzodioxol-5-ylmagnesium bromide, 0.5 M in THF3,4-(Methylenedioxy)phenylmagnesium bromide, 0.5M in THF3,4-(Methylenedioxy)phenylmagnesium bromide 2 M in 2-MeTHF3,4-(Methylenedioxy)phenylmagnesium bromide 0.5 M in Tetrahydrofuran

データベース識別子

CAS: 17680-04-5
PubChem CID: 4429644
EC Number: 806-299-1

物性

構造計算による物性

極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 220

物理化学的性質

比重(密度): 1.04 g/mL · 1.04 g/mL at 25 °C
闪点: 14 °F · 14 °F
外見: 液体
色: 無色～黄色
水溶解度: 水と反応します。
InChI: 1S/C7H5O2.BrH.Mg/c1-2-4-7-6(3-1)8-5-9-7;;/h1,3-4H,5H2;1H;/q;;+1/p-1
InChIKey: JFUHZUGUHBLMLB-UHFFFAOYSA-M
SMILES: Br[Mg]c1ccc2OCOc2c1

化学的性質

化学的特性Colorless to amber liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 2
ridadr: UN 2924 3/PG 2
hs_code: 29329990
risk_code: 11-34-48/20-63-65-67-40-37-19-14
hazard_code: F,C
safety_code: 26-36/37/39-45-62-16
hazard_class: 3
Hazard Classifications: Aquatic Chronic 3Asp. Tox. 1Carc. 2Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 2STOT SE 3
ストレージクラス: 4.3 - Hazardous materials which set free flammable gases upon contact with water