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Phenylethynylmagnesium bromide solution

Also known as Phenylethynylmagnesium bromide, (2-Phenylethynyl)magnesium bromide, Phenylacetylenemagnesium bromide

Phenylethynylmagnesium bromide solution chemical structure, C8H5BrMg, CAS 6738-06-3
2D chemical structure

Key facts

What buyers check first

CAS number
6738-06-3
Formula
C8H5BrMg
Molar mass
205.34 g/mol
EC number
687-117-6
HS code
290290
Category
Organometallic compounds

What is Phenylethynylmagnesium bromide solution?

Plain description, key identifiers and synonyms

Phenylethynylmagnesium bromide solution is a chemical substance with the molecular formula C8H5BrMg and a molar mass of 205.34 g/mol. Its CAS registry number is 6738-06-3. The IUPAC name is magnesium, ethynylbenzene, bromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
magnesium, ethynylbenzene, bromide
CAS number
6738-06-3 CAS number cross-checked
EC number
687-117-6
Molecular formula
C8H5BrMg
MDL number
MFCD00134164
InChIKey
JGPDOURHDDKDEZ-UHFFFAOYSA-M
InChI
InChI=1S/C8H5.BrH.Mg/c1-2-8-6-4-3-5-7-8;;/h3-7H;1H;/q-1;;+2/p-1
SMILES (canonical and isomeric)
[C-]#CC1=CC=CC=C1.[Mg+2].[Br-]

Synonyms

  • Phenylethynylmagnesium bromide
  • (2-Phenylethynyl)magnesium bromide
  • Phenylacetylenemagnesium bromide
  • magnesium, ethynylbenzene, bromide
  • phenylethynyl magnesium bromide
  • 6738-06-3(THF)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
205.34 g/molcalc.
Exact mass
203.9425 Dacalc.
LogP (octanol/water)
-1.75calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS05: Corrosive
Corrosive

Hazard statements

  • H250Catches fire spontaneously if exposed to air.
  • H261In contact with water releases flammable gas.
  • H314Causes severe skin burns and eye damage.
Precautionary statements (20)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P222Do not allow contact with air.
  • P231Handle and store contents under inert gas.
  • P231 + P232Handle and store contents under inert gas. Protect from moisture.
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P335 + P334If on skin: Brush off loose particles from skin. Immerse in cool water or wrap in wet bandages.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P363Wash contaminated clothing before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P402 + P404Store in a dry place. Store in a closed container.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Phenylethynylmagnesium bromide solution suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Phenylethynylmagnesium bromide solution price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Phenylethynylmagnesium bromide solution is traded under.

HS 2902.90Indicative HS code

Cyclic hydrocarbons, other

World exports in 2024
$612M
−6.1% vs 2023, imports $670M
2019 to 2024
Top exporters
  1. China28.0%
  2. Germany13.9%
  3. India * partner reported12.6%
Top importers
  1. Germany11.1%
  2. United States10.6%
  3. South Korea8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Phenylethynylmagnesium bromide solution is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Phenylethynylmagnesium bromide solution, based on the data on this page

What is Phenylethynylmagnesium bromide solution?

Phenylethynylmagnesium bromide solution is a chemical substance with the molecular formula C8H5BrMg and a molar mass of 205.34 g/mol. Its CAS registry number is 6738-06-3. The IUPAC name is magnesium, ethynylbenzene, bromide.

What is the CAS number of Phenylethynylmagnesium bromide solution?

The CAS registry number of Phenylethynylmagnesium bromide solution is 6738-06-3.

What is the molecular formula and weight of Phenylethynylmagnesium bromide solution?

The molecular formula of Phenylethynylmagnesium bromide solution is C8H5BrMg and its molar mass is 205.34 g/mol.

Is Phenylethynylmagnesium bromide solution hazardous?

Phenylethynylmagnesium bromide solution carries the GHS signal word "Danger". Main hazards: catches fire spontaneously if exposed to air, in contact with water releases flammable gas, causes severe skin burns and eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phenylethynylmagnesium bromide solution?

Phenylethynylmagnesium bromide solution is usually classified under HS code 290290 (Cyclic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phenylethynylmagnesium bromide solution?

CompoundList lists 2 suppliers of Phenylethynylmagnesium bromide solution in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Phenylethynylmagnesium bromide solution?

Suppliers quote Phenylethynylmagnesium bromide solution on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Phenylethynylmagnesium bromide solution

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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