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100-59-4

Basic Information
CAS No.: 100-59-4
Name: PHENYLMAGNESIUM CHLORIDE
Article Data: 8
Molecular Structure:
Molecular Structure of 100-59-4 (PHENYLMAGNESIUM CHLORIDE)
Formula: C6H5ClMg
Molecular Weight: 136.864
Synonyms: Magnesium,phenyl-, chloride (6CI);Phenylmagnesium chloride (6CI);Chlorophenylmagnesium;
EINECS: 202-868-8
Density: 0.98 g/mL at 20 °C
Melting Point: 89-90oC
Boiling Point: 78.8oC at 760mmHg
Flash Point: 1°F
Solubility: It reacts violently with water.
Appearance: yellowish-brown to dark brown solution
Hazard Symbols: FlammableF, CorrosiveC
Risk Codes: 14-19-20/21/22-34-67-65-63-48/20-11
Safety: 26-36/37/39-45-62-33-16
Transport Information: UN 2924 3/PG 2
PSA: 0.00000
LogP: 2.17630
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  • Phenylmagnesium chloride cas  100-59-4

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  • PHENYLMAGNESIUMCHLORIDE 100-59-4

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Specification

The Magnesium,chlorophenyl-, with the CAS registry number 100-59-4, is also known as Chlorophenylmagnesium. It belongs to the product categories of Organometallics; Classes of Metal Compounds; Grignard Reagents; Grignard Reagents & Alkyl Metals; Mg (Magnesium) Compounds; Synthetic Organic Chemistry; Typical Metal Compounds; Aryl; Grignard Reagents; Organometallic Reagents. Its EINECS registry number is 202-868-8. This chemical's molecular formula is C6H5ClMg and molecular weight is 136.8619. Its IUPAC name is called magnesium benzene chloride. This chemical is yellowish-brown to dark brown solution.

Physical properties of Magnesium,chlorophenyl-: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 0; (4)Exact Mass: 135.99302; (5)MonoIsotopic Mass: 135.99302; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 8; (8)Formal Charge: 0; (9)Complexity: 100; (10)Covalently-Bonded Unit Count: 3.

Uses of Magnesium,chlorophenyl-: it can be used to produce (E)-1-Phenyl-1-nonen-3-yne by heating. This reaction is a kind of Negishi coupling reaction. It will need reagent ZnCl2 and solvent tetrahydrofuran with reaction time of 3.5 hours. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. Besides, it may destroy living tissue on contact. This chemical is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=[C-]C=C1.[Mg+2].[Cl-]
(2)InChI: InChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1
(3)InChIKey: IWCVDCOJSPWGRW-UHFFFAOYSA-M