-
Name
2,3-Difluoro-6-methoxyphenylboronic acid
- EINECS
- CAS No. 957061-21-1
- Density 1.35 g/cm3
- Solubility
- Melting Point
- Formula C7H7BF2O3
- Boiling Point 322.4 °C at 760 mmHg
- Molecular Weight 187.939
- Flash Point 148.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Borono-3,4-difluoroanisole
- PSA 49.69000
- LogP -0.34680
Boronic acid,B-(2,3-difluoro-6-methoxyphenyl)- Specification
The Boronic acid,B-(2,3-difluoro-6-methoxyphenyl)- is an organic compound with the formula C7H7BF2O3. The systematic name of this chemical is (2,3-difluoro-6-methoxyphenyl)boronic acid. With the CAS registry number 957061-21-1, it is also named as 2,3-Difluoro-6-methoxybenzeneboronic acid. The product's categories are Blocks; Boronic Acids; Fluorinated; Organoborons; Aryl.
The other characteristics of Boronic acid,B-(2,3-difluoro-6-methoxyphenyl)- can be summarized as: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 10.28; (6)ACD/BCF (pH 7.4): 4.71; (7)ACD/KOC (pH 5.5): 183.67; (8)ACD/KOC (pH 7.4): 84.26; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 39.87 cm3; (15)Molar Volume: 139.1 cm3; (16)Polarizability: 15.8×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 148.8 °C; (20)Enthalpy of Vaporization: 59.57 kJ/mol; (21)Boiling Point: 322.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000115 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(OC)c(B(O)O)c1F
2. InChI:InChI=1/C7H7BF2O3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,11-12H,1H3
3. InChIKey:IWTBPDRQHIEPBQ-UHFFFAOYAN
4. Std. InChI:InChI=1S/C7H7BF2O3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,11-12H,1H3
5. Std. InChIKey:IWTBPDRQHIEPBQ-UHFFFAOYSA-N
Related Products
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- Boronic acid, B-(2,6-difluoro-3-pyridinyl)-, hydrate (1:1)
- Boronic acid, B-(2,6-difluoro-4-methoxyphenyl)-
- Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-2-yl]-
- Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]-
- Boronic acid, B-[2-(1-pyrrolidinylsulfonyl)phenyl]-
- Boronic acid,(2,4,5-trichlorophenyl)- (9CI)
- Boronic acid,(3-amino-5-nitrophenyl)- (9CI)
- Boronic acid,(3-fluoro-2-hydroxyphenyl)- (9CI)
- Boronic acid,(3-methoxy-2-pyridinyl)- (9CI)
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