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CAS No.: | 130870-00-7 |
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Name: | 4-Bromo-2,5-dimethylphenylboronic acid |
Molecular Structure: | |
Formula: | C8H10BBrO2 |
Molecular Weight: | 228.88 |
Synonyms: | Boronicacid, (4-bromo-2,5-dimethylphenyl)- (9CI);4-Bromo-2,5-dimethylphenylboronic acid; |
Density: | 1.5 g/cm3 |
Melting Point: | 194-202℃ |
Boiling Point: | 350.3 °C at 760 mmHg |
Flash Point: | 165.6 °C |
Appearance: | off-white solid |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 40.46000 |
LogP: | 0.74570 |
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The 4-Bromo-2,5-dimethylphenylboronic acid with the cas number 130870-00-7 is also called Boronic acid,B-(4-bromo-2,5-dimethylphenyl)-. Its molecular formula is C8H10BBrO2. This chemical belongs to the following product categories: (1)blocks; (2)BoronicAcids; (3)Bromides. It is irritant. While using this chemical, you should be very cautious.
The properties of the chemical are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.574; (8)Molar Refractivity: 50.25 cm3; (9)Molar Volume: 152.2 cm3; (10)Polarizability: 19.92×10-24cm3; (11)Surface Tension: 47.2 dyne/cm; (12)Enthalpy of Vaporization: 62.77 kJ/mol; (13)Vapour Pressure: 1.66×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(B(O)O)cc1C)C
(2)InChI: InChI=1/C8H10BBrO2/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4,11-12H,1-2H3
(3)InChIKey: FUVZURQKCDUKIR-UHFFFAOYAF