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Name
(2-BROMOMETHYL-4-FLUOROBENZENE)BORONIC ACID
- EINECS
- CAS No. 850568-01-3
- Density 1.64 g/cm3
- Solubility
- Melting Point 169-171 °C
- Formula C7H7BBrFO2
- Boiling Point 343.1 °C at 760 mmHg
- Molecular Weight 232.84
- Flash Point 161.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms Boronicacid, [2-(bromomethyl)-4-fluorophenyl]- (9CI);2-(Bromomethyl)-4-fluorobenzeneboronic acid;2-Borono-5-fluorobenzyl bromide;
- PSA 40.46000
- LogP 0.40040
Boronic acid,B-[2-(bromomethyl)-4-fluorophenyl]- Specification
The systematic name of Boronic acid,B-[2-(bromomethyl)-4-fluorophenyl]- is [2-(bromomethyl)-4-fluoro-phenyl]boronic acid. With the CAS registry number 850568-01-3, it is also named as 2-Borono-5-fluorobenzyl bromide. The product's categories are Blocks; Boronic Acids; Bromides; Fluoro Compounds. It should be stored in cold place. In addition, its molecular formula is C7H7BBrFO2 and its molecular weight is 232.84.
The other characteristics of Boronic acid,B-[2-(bromomethyl)-4-fluorophenyl]- can be summarized as: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.31; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 45.75 cm3; (11)Molar Volume: 141.5 cm3; (12)Polarizability: 18.13×10-24cm3; (13)Surface Tension: 46.8 dyne/cm; (14)Density: 1.64 g/cm3; (15)Flash Point: 161.3 °C; (16)Melting Point: 169-171 °C; (17)Enthalpy of Vaporization: 61.94 kJ/mol; (18)Boiling Point: 343.1 °C at 760 mmHg; (19)Vapour Pressure: 2.76E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1ccc(cc1CBr)F)(O)O
(2)InChI: InChI=1/C7H7BBrFO2/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,11-12H,4H2
(3)InChIKey: SAHGEZUSQVBFDM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H7BBrFO2/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,11-12H,4H2
(5)Std. InChIKey: SAHGEZUSQVBFDM-UHFFFAOYSA-N
Related Products
- Boronic acid, (10-[1,1'-biphenyl]-4-yl-9-anthracenyl)-
- Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI)
- Boronic acid, 2,5-benzofurandiylbis-
- Boronic acid, 2-dibenzofuranyl-
- Boronic acid, B-(2-amino-5-fluorophenyl)-
- Boronic acid, B-(2-chloro-3-fluoro-4-pyridinyl)-
- Boronic acid, B-2-dibenzothienyl-
- Boronic acid,(1-methyl-4-piperidinyl)- (9CI)
- Boronic acid,(2,4,5-trichlorophenyl)- (9CI)
- Boronic acid,(3-amino-5-nitrophenyl)- (9CI)
- 850568-04-6
- 850568-05-7
- 850568-07-9
- 850568-08-0
- 850568-09-1
- 850568-10-4
- 850568-11-5
- 850568-12-6
- 850568-13-7
- 850568-14-8
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