Magnesium chloride hexahydrate structure

3D Mol Similar

Magnesium chloride hexahydrate

Iupac Name：magnesium;dichloride;hexahydrate

CAS No.: 7791-18-6

Molecular Weight：203.30268

Modify Date.: 2022-11-25 02:15

Introduction: Used in adjustment of ion strength. View more+

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1. Names and Identifiers

1.1 Name: Magnesium chloride hexahydrate
1.2 Synonyms: chlorurede magnesium hydrate Dichloromagnesium hexahydrate EINECS 232-094-6 MAGNESIUM CHLORIDE 6H2O MAGNESIUM CHLORIDE HEXAHYDRATE BIOXT Magnesium chloride hexahydrate for analysis EMSURE ACS,ISO,Reag. Ph Eur MAGNESIUM CHLORIDE HEXAHYDRATE*CELL MAGNESIUM CHLORIDE HEXAHYDRATE, FOR Magnesium Chloride, Hexahydrate. USP/FCC Magnesium dichloride hexahydrate MFCD00149781 UNII-02F3473H9O

1.3 CAS No.: 7791-18-6

1.4 CID: 24644

1.5 EINECS(EC#): 232-094-6

1.6 Molecular Formula: Cl2H12MgO6 (isomer)

1.7 Inchi: InChI=1S/2ClH.Mg.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2

1.8 InChkey: DHRRIBDTHFBPNG-UHFFFAOYSA-L

1.9 Canonical Smiles: O.O.O.O.O.O.[Mg+2].[Cl-].[Cl-]

1.10 Isomers Smiles: O.O.O.O.O.O.[Mg+2].[Cl-].[Cl-]

2. Properties

2.1 Density: 1.569

2.1 Melting point: 117℃

2.1 Boiling point: 1412

2.1 Precise Quality: 201.98600

2.1 PSA: 55.38000

2.1 logP: 0.99320

2.1 Solubility: 2350 g/L (20 oC)

2.2 Appearance: white to brown flake or granular crystal

2.3 Storage: Hygroscopic. Ambient temperatures.

2.4 Chemical Properties: White crystalline powder

2.5 Color/Form: White to slightly gray

2.6 Odor: Odorless

2.7 PH: 4.5-7.0 (50g/l, H2O, 20℃)

2.8 Water Solubility: H2O: 2350 g/L (20 oC)

2.9 Stability: Stable. Incompatible with strong oxidizing agents. Protect from moisture.

2.10 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Definition: ChEBI: A hydrate that is the hexahydrate form of magnesium dichloride.

3.2 Purification Methods: Crystallise it from hot water (3.3g/mL) by cooling. Dry it in a vacuum at ~175o, or heat the hydrate in a stream of HCl. When the hydrate is heated above 180o it is hydrolysed to the oxychloride (Mg2OCl2). It is deliquescent; store it in a well-stoppered vessel. [Bryce-Smith Inorg Synth VI 9 1960, Ehrlich in Handbook of Preparative Inorganic Chemistry (Ed. Brauer) Academic Press Vol I p 908 1963.] Magnesium chloride hexahydrate Preparation Products And Raw materials Raw materials

3.3 Usage: Used in adjustment of ion strength.

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S24/25

4.1 RIDADR: 50kgs

4.1 WGK Germany: 1

4.1 RTECS: OM2975000

4.1 Safety: Hazard Codes:?Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes.?
S36:Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 1
RTECS: OM2975000
F: 3
HS Code: 28273100
Poison by intravenous route. Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. Used in disinfectants and fire extinguishers. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl^?. See also MAGNESIUM.

4.2 Sensitive: Hygroscopic

4.3 Specification: ??Magnesium dichloride hexahydrate ,?its cas register number is 7791-18-6. It also can be called?Chlorure de magnesium hydrate ; Magnesium Chloride ; Magnesium chloride (MgCl2) hydrate (1:6) ; Magnesium chloride hydrate (MgCl2.6H2O) ;
?Magnesium dichloride hexahydrate ; UNII-02F3473H9O .?Magnesium dichloride hexahydrate (CAS NO.7791-18-6) is a?white crystalline powder.

4.4 Toxicity: LD50 orally in Rabbit: 8100 mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. Other Information

6.0 Usage: It is utilized in the polymerase chain reactions (PCR). It is used for dust control, ice control, and road stabilization. It is employed in a variety of applications such as fertilizers, mineral supplements for animals, waste water treatment, artificial seawater, textiles, paper, fireproofing agents, cements, and fire extinguishers. Pharmaceutical preparations are used in several medicines and topical or skin related applications. It acts as a coagulant in the preparation of tofu from soy milk.

6.1 Usage: Utilized in the polymerase chain reactions (PCR). Used for dust control, ice control, and road stabilization. Employed in a variety of applications such as fertilizer, mineral supplement for animals, waste water treatment, artificial seawater, textiles, paper, fireproofing agents, cements, and fire extinguishers. Used in several medicines and topical or skin related applications. Acts as a coagulant in the preparation of tofu from soy milk. Acts as an anesthetic for cephalopods.

6.2 Usage: Magnesium Chloride, Hexahydrate is widely used as a source of magnesium ion in chemistry and molecular biology applications. In biological systems, magnesium is a co-factor for many enzymes including deoxyribonuclease (DNase) and various restriction enzymes. Also plays a role in cell membrane integrity, muscle cell physiology, cardiovascular and muscular activity, and nucleic acid structure. Magnesium chloride solution is a favorable choice as an elution buffer for antibody affinity column purifications; it is much milder on most antigens than acid elution, allowing reuse of the antigen column. Also an essential cofactor for the DNA polymerase in polymerase chain reaction (PCR) amplification. Used in wood fireproofing, wool carbonizing, and cotton fabric dressing; Also used in disinfectants, magnesia cements, fire extinguishers, floor sweeping compounds, and casein glue; Also used to make parchment paper and artificial leather; Has been used therapeutically as a cathartic and to treat bovine hypomagnesaemia.

6.3 Usage: Utilized in the polymerase chain reactions (PCR). Used for dust control, ice control, and road stabilization. Employed in a variety of applications such as fertilizer, mineral supplement for animals, waste water treatment, artificial seawater, textiles, paper, fireproofing agents, cements, and fire extinguishers. Used in several medicines and topical or skin related applications. Acts as a coagulant in the preparation of tofu from soy milk. Acts as an anaesthetic for cephalopods.

6.4 Merck: 14,5662

6.5 Description: Magnesium chloride hexahydrate is the hydrated form of magnesium chloride. Magnesium chloride is a mineral supplement used to prevent and treat low amounts of magnesium in the blood and a versatile compound with a number of uses in food preparation, health and personal well-being areas. Magnesium chloride is also used in road care, to synthesize other magnesium compounds, to remove dyes and industrial dye wastes, for the dust control, in the textile production, and as an industrial dye and dye waste remover. Magnesium chloride hexahydrate is used as catalyst for organic synthesis, e.g. 3,4‐Dihydropyrimidin‐2‐(1H)‐one. Magnesium chloride hexahydrate is also a promising heat/thermal storage material.

6.6 References: [1] Radim Pilar, Ladislav Svoboda, Pavla Honcova and Lucie Oravova, Study of magnesium chloride hexahydrate as heat storage material, Thermochimica Acta, 2012, vol. 546, 81-86
[2] Guo-Lin Zhang and Xiao-Hua Cai, Magnesium Chloride Hexahydrate Catalyzed One‐Pot Synthesis of 3,4‐Dihydropyrimidin‐2‐(1H)ones Under Solvent‐Free Conditions, Synthetic Communications, 2006, 829-833
[3] BH Tan, TT Teng and AKM Omar, Removal of dyes and industrial dye wastes by magnesium chloride, Water Research, 2000, vol. 34, 597-601

6.7 Chemical Properties: White crystalline powder

6.8 Uses: Used in adjustment of ion strength.

6.9 Uses

Magnesium chloride hexahydrate has been used in wash buffer for the purification of protein from Saccharomyces cerevisiae.
It has been used for the preparation of extracellular (Ringer) solution for juxtacellular recording of single neurons in freely moving rats.
It has been used as a supplement to study effect of desiccation on bacterial viability.

7. Computational chemical data

Molecular Weight: 203.30268g/mol
Molecular Formula: Cl₂H₁₂MgO₆
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 201.9861352
Monoisotopic Mass: 201.9861352
Complexity: 0
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 6
Hydrogen Bond Acceptor Count: 8
Topological Polar Surface Area: 6
Heavy Atom Count: 9
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 9
CACTVS Substructure Key Fingerprint: AAADccAAOAAGACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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