3,4-(Methylenedioxy)phenylmagnesium bromide solution

HCID 4429644

Notes Reactions

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Basic information

CAS: 17680-04-5
Standard SMILES: [Br-].[Mg+2].[c-]1ccc2c(c1)OCO2
InChIKey: KLRLIDQAFFVFCV-UHFFFAOYSA-M
Molecular formula: C7H5BrMgO2
Average molar mass: 225.32 g/mol
Monoisotopic mass: 223.93233

Names & identifiers

Preferred name: 3,4-(Methylenedioxy)phenylmagnesium bromide solution
IUPAC: magnesium;5H-1,3-benzodioxol-5-ide;bromide
English name: 3,4-(Methylenedioxy)phenylmagnesium bromide
Molecular formula: C7H5BrMgO2
Molecular weight: 225.32

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 220

Physicochemical properties

Density: 1.04 g/mL · 1.04 g/mL at 25 °C
Flash point: 14 °F · 14 °F
form: Liquid
color: Colorless to yellow
Water Solubility: It reacts with water.
Sensitive: Air & Moisture Sensitive
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
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS07,GHS08
Signal word: Danger
Hazard statements: 318 · H318-H225-H304-H314-H335-H336-H351-H361d-H373
Precautionary statements: 260 h-P303+P361+P353-P405-P501a-P210-P260-P280-P305+P351+P338-P370+P378-P403+P235 · P260h-P303+P361+P353-P405-P501a-P210-P260-P280-P305+P351+P338-P370+P378-P403+P235
target organs: Central nervous system, Respiratory system
Hazard Codes: F,C
Risk Statements: 11 · 11-34-48/20-63-65-67-40-37-19-14
Safety Statements: 26 · 26-36/37/39-45-62-16
RIDADR: 2924 · UN 2924 3/PG 2
WGK Germany: 2 · 2
HazardClass: 3 · 3
HS Code: 29329990 · 29329990
Storage Class: 4.3 · 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications: 3 Asp · Aquatic Chronic 3Asp. Tox. 1Carc. 2Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 2STOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Safety data

wgk: 2
ridadr: UN 2924 3/PG 2
hs_code: 29329990
risk_code: 11-34-48/20-63-65-67-40-37-19-14
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07,GHS08
hazard_code: F,C
safety_code: 26-36/37/39-45-62-16
hazard_class: 3
Storage Class: 4.3 - Hazardous materials which set free flammable gases upon contact with water
target organs: Central nervous system, Respiratory system
Hazard statements: H318-H225-H304-H314-H335-H336-H351-H361d-H373
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Aquatic Chronic 3Asp. Tox. 1Carc. 2Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSTOT RE 2STOT SE 3
Precautionary statements: P260h-P303+P361+P353-P405-P501a-P210-P260-P280-P305+P351+P338-P370+P378-P403+P235