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116980-66-6

Basic Information
CAS No.: 116980-66-6
Name: OCTADECYLMAGNESIUM CHLORIDE
Molecular Structure:
Molecular Structure of 116980-66-6 (OCTADECYLMAGNESIUM CHLORIDE)
Formula: C18H37ClMg
Molecular Weight: 313.24
Synonyms: Octadecane,magnesium complex;Octadecylmagnesium chloride;
Density: 0.906 g/mL at 25 °C
Boiling Point: 316.3 °C at 760 mmHg
Flash Point: 165.6 °C
Hazard Symbols: FlammableF,CorrosiveC
Risk Codes: 11-14-19-22-34
Safety: 16-26-27-36/37/39-45
PSA: 0.00000
LogP: 4.08600
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Specification

The Magnesium,chlorooctadecyl- is an organic compound with the formula C18H37ClMg. The systematic name of this chemical is magnesium chloride octadecan-1-ide. With the CAS registry number 116980-66-6, it is also named as Octadecylmagnesium chloride solution. The product's categories are Alkyl; Grignard Reagents; Organometallic Reagents. Besides, it should be stored in a closed cool and dry place.

Physical properties about Magnesium,chlorooctadecyl- are: (1)ACD/LogP: 10.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.32; (4)ACD/LogD (pH 7.4): 10.32; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 9793947; (8)ACD/KOC (pH 7.4): 9793947; (9)#Freely Rotating Bonds: 15; (10)Flash Point: 165.6 °C; (11)Enthalpy of Vaporization: 53.54 kJ/mol; (12)Boiling Point: 316.3 °C at 760 mmHg; (13)Vapour Pressure: 0.000769 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable. It reacts violently with water and may form explosive peroxides. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is harmful if swallowed and can cause burns. Please keep away from sources of ignition - No smoking and take off immediately all contaminated clothing. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Mg+2].[Cl-].[CH2-]CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C18H37.ClH.Mg/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h1,3-18H2,2H3;1H;/q-1;;+2/p-1
(3)InChIKey: BNWJANSKVJZWMB-REWHXWOFAL
(4)Std. InChI: InChI=1S/C18H37.ClH.Mg/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h1,3-18H2,2H3;1H;/q-1;;+2/p-1
(5)Std. InChIKey: BNWJANSKVJZWMB-UHFFFAOYSA-M