3,4-(Methylenedioxy)phenylmagnesium bromide solution

HCID 4429644

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Grundinformationen

CAS: 17680-04-5
Standard-SMILES: [Br-].[Mg+2].[c-]1ccc2c(c1)OCO2
InChIKey: KLRLIDQAFFVFCV-UHFFFAOYSA-M
Summenformel: C7H5BrMgO2
Durchschnittliche Molmasse: 225,32 g/mol
Monoisotopische Masse: 223,93233

Namen und Bezeichner

Bevorzugter Name: 3,4-(Methylenedioxy)phenylmagnesium bromide solution
IUPAC: magnesium;5H-1,3-benzodioxol-5-ide;bromide
Englischer Name: 3,4-(Methylenedioxy)phenylmagnesium bromide
Summenformel: C7H5BrMgO2
Molmasse: 225.32

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 220

Physikochemische Eigenschaften

Dichte: 1.04 g/mL · 1.04 g/mL at 25 °C
Flammpunkt: 14 °F · 14 °F
Aggregatzustand: Liquid
Farbe: Colorless to yellow
Wasserlöslichkeit: It reacts with water.
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

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
Speicherklasse: 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications: Aquatic Chronic 3Asp. Tox. 1Carc. 2Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 2STOT SE 3