4-Tert-butylphenylmagnesium bromide

The CAS register number of 4-Tert-butylphenylmagnesium bromide is 63488-10-8. It also can be called as p-tert-butylphenylmagnesium bromide and the systematic name about this chemical is bromo(4-tert-butylphenyl)magnesium. The molecular formula about this chemical is C₁₀H₁₃BrMg and the molecular weight is 237.42. It belongs to the following product categories which include Aryl; Grignard Reagents; Organometallic Reagents and so on.

Physical properties about 4-Tert-butylphenylmagnesium bromide are: (1)#Freely Rotating Bonds: 2.

Uses of 4-Tert-butylphenylmagnesium bromide: it can be used to produce 2-(4-tert-Butylphenyl)-2-adamantanol with adamantan-2-one. This reaction will need solvent of diethyl ether. This reaction needs room temperature and reflux. The yield is about 57%.

When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable and harmful by inhalation, in contact with skin and if swallowed. It can react violently with water and cause burns. There is limited evidence of a carcinogenic effect. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection and take precautionary measures against static discharges. When you are using it, keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) This chemical may have harm to the environment, especially when discharged into water. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1ccc([Mg]Br)cc1
(2)InChI: InChI=1/C10H13.BrH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q;;+1/p-1/rC10H13BrMg/c1-10(2,3)8-4-6-9(12-11)7-5-8/h4-7H,1-3H3
(3)InChIKey: YECFWFOEQLAVNH-PYHREEMEAA
(4)Std. InChI: InChI=1S/C10H13.BrH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q;;+1/p-1
(5)Std. InChIKey: YECFWFOEQLAVNH-UHFFFAOYSA-M