CAS No.98-22-6,2,6-DIBROMO-4-TERT-BUTYL-PHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98-22-6
Name:	2,6-DIBROMO-4-TERT-BUTYL-PHENOL
Article Data:	17

Formula:	C₁₀H₁₂Br₂O
Molecular Weight:	308.013
Synonyms:	Phenol,2,6-dibromo-4-tert-butyl- (6CI,7CI,8CI);2,6-Dibromo-4-tert-butylphenol;NSC74538;
Density:	1.647g/cm³
Melting Point:	70-71℃
Boiling Point:	255.5 °C at 760mmHg
Flash Point:	108.3 °C
PSA:	20.23000
LogP:	4.21470

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Specification

The IUPAC name of this chemical is 2,6-dibromo-4-tert-butylphenol. With the CAS registry number 98-22-6, it is also named as Phenol, 2,6-dibromo-4- (1,1-dimethylethyl)-. The formula is C₁₀H₁₂Br₂O and molecular weight is 308.00968. Additionally, it should be avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.10; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 ?2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 61.9 cm³; (9)Molar Volume: 186.9 cm³; (10)Polarizability: 24.53×10^-24 cm³; (11)Surface Tension: 40.4 dyne/cm; (12)Enthalpy of Vaporization: 51.29 kJ/mol; (13)Vapour Pressure: 0.0101 mmHg at 25°C; (14)Rotatable Bond Count: 1; (15)Tautomer Count: 2; (16)Exact Mass: 307.923444; (17)MonoIsotopic Mass: 305.92549; (18)Topological Polar Surface Area: 20.2; (19)Heavy Atom Count: 13; (20)Complexity: 164.

Preparation of 2,6-Dibromo-4-tert-butylphenol: It can be obtained by 4-tert-butyl-phenol. This reaction needs reagent bromine at temperature of 100 °C.

Uses of 2,6-Dibromo-4-tert-butylphenol: It can be used in organic synthesis. For example: it reacts with sulfuric acid dimethyl ester to get 1,3-dibromo-5-tert-butyl-2-methoxy-benzene. This reaction needs reagent NaOH.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cc(cc(Br)c1O)C(C)(C)C
2. InChI:InChI=1/C10H12Br2O/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,13H,1-3H3
3. InChIKey:RZYQECXFRLRRJY-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C10H12Br2O/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,13H,1-3H3
5. Std. InChIKey:RZYQECXFRLRRJY-UHFFFAOYSA-N