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15366-08-2

Basic Information
CAS No.: 15366-08-2
Name: SEC-BUTYLMAGNESIUM CHLORIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 15366-08-2 (SEC-BUTYLMAGNESIUM CHLORIDE)
Formula: C4H9ClMg
Molecular Weight: 116.873
Synonyms: Magnesium,sec-butylchloro- (7CI,8CI);2-Butylmagnesium chloride;
EINECS: 239-403-3
Density: 0.83 g/mL at 20oC
Boiling Point: 66oC
Flash Point: -21oC
Appearance: Light to dark-brown solution
Hazard Symbols: HighlyF+, CorrosiveC
Risk Codes: 12-14/15-22-34-66-67
Safety: 16-26-36/37/39-43-45-7/8
PSA: 0.00000
LogP: 2.44360
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    Product Name: SEC-BUTYLMAGNESIUM CHLORIDE CAS: 15366-08-2 MF: C4H9ClMg MW: 116.87 EINECS: 239-403-3 Mol File: 15366-08-2.mol SEC-BUTYLMAGNESIUM CHLORIDE Structure SEC-BUTYLMAGNESIUM CHLORIDE Chemical Properties Boiling point 6

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Specification

The Magnesium,chloro(1-methylpropyl)- is an organic compound with the formula C4H9ClMg. The IUPAC name of this chemical is Magnesium butane chloride. With the CAS registry number 15366-08-2, it is also named as Chloro(1-methylpropyl)magnesium. The product's categories are AlkylChemical Synthesis; Grignard Reagents; Organic Bases; Organometallic Reagents; Synthetic Reagents. Besides, it is light to dark-brown solution, which should be stored in a cool, dry place.

Physical properties about Magnesium,chloro(1-methylpropyl)- are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.88; (3)ACD/LogD (pH 7.4): 2.88; (4)ACD/BCF (pH 5.5): 91.09; (5)ACD/BCF (pH 7.4): 91.09; (6)ACD/KOC (pH 5.5): 879.42; (7)ACD/KOC (pH 7.4): 879.42; (8)#Freely Rotating Bonds: 1; (9)Enthalpy of Vaporization: 22.44 kJ/mol; (10)Vapour Pressure: 1920 mmHg at 25 °C.

Uses of Magnesium,chloro(1-methylpropyl)-: it can be used to produce 3,4-Dimethyl-hexanoic acid methyl ester at temperature of -78 °C. It will need reagents CuBr • Me2S; Me3SiCl and solvents tetrahydrofuran; hexamethylphosphoric acid triamide with reaction time of 2 hours. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
It is extremely flammable. It reacts violently with water, liberating extremely flammable gases. It is harmful if swallowed. And it causes burns. It may cause skin dryness or cracking if it is repeated exposure. Besides, its vapors may cause drowsiness and dizziness. When you are using it, keep away from sources of ignition - No smoking, and keep container tightly closed and dry. And you should wear suitable protective clothing, gloves and eye/face protection when you are using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of fire, use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add - Never use water). In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C4H9.ClH.Mg/c1-3-4-2;;/h3H,4H2,1-2H3;1H;/q-1;;+2/p-1
(2)InChIKey: YNLPNVNWHDKDMN-REWHXWOFAL
(3)Std. InChI: InChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h3H,4H2,1-2H3;1H;/q-1;;+2/p-1
(4)Std. InChIKey: YNLPNVNWHDKDMN-UHFFFAOYSA-M