CAS No.406482-20-0,2 6-DIFLUORO-4-METHOXYPHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	406482-20-0
Name:	2 6-DIFLUORO-4-METHOXYPHENYLBORONIC ACID
Article Data:	2

Formula:	C₇H₇BF₂O₃
Molecular Weight:	187.939
Synonyms:	Boronic acid, (2,6-difluoro-4-methoxyphenyl)- (9CI);(2,6-Difluoro-4-methoxyphenyl)boronic acid;
Density:	1.35g/cm³
Melting Point:	125-130 °C(lit.)
Boiling Point:	125-130 °C(lit.)
Flash Point:	116.7°C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	49.69000
LogP:	-0.34680

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Specification

The CAS register number of Boronic acid, B-(2,6-difluoro-4-methoxyphenyl)- is 406482-20-0. It also can be called as 2,6-Difluoro-4-methoxybenzeneboronic acid and the systematic name about this chemical is (2,6-difluoro-4-methoxyphenyl)boronic acid. The molecular formula about this chemical is C₇H₇BF₂O₃and the molecular weight is 187.94. It belongs to the following product categories which include Blocks; BoronicAcids; FluoroCompounds; Aryl; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids and so on.

Physical properties about Boronic acid, B-(2,6-difluoro-4-methoxyphenyl)- are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 12.48; (5)ACD/BCF (pH 7.4): 11.66; (6)ACD/KOC (pH 5.5): 211.95; (7)ACD/KOC (pH 7.4): 198.07; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 49.69Å²; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 39.87 cm³; (14)Molar Volume: 139.1 cm³; (15)Polarizability: 15.8x10^-24cm³; (16)Surface Tension: 37.8 dyne/cm; (17)Enthalpy of Vaporization: 53.6 kJ/mol; (18)Boiling Point: 269.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00362 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(OC)cc(F)c1B(O)O
(2)InChI: InChI=1/C7H7BF2O3/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,11-12H,1H3
(3)InChIKey: WVSZSFADEBGONQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H7BF2O3/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,11-12H,1H3
(5)Std. InChIKey: WVSZSFADEBGONQ-UHFFFAOYSA-N