Product Name

  • Name

    (3,5-DIFLUORO-2-METHOXYPHENYL)BORONIC ACID, 97

  • EINECS -0
  • CAS No. 737000-76-9
  • Article Data1
  • CAS DataBase
  • Density 1.35 g/cm3
  • Solubility
  • Melting Point 200 °C
  • Formula C7H7BF2O3
  • Boiling Point 339.9 °C at 760 mmHg
  • Molecular Weight 187.939
  • Flash Point 159.4 °C
  • Transport Information
  • Appearance beige powder or chunks
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 737000-76-9 ((3,5-DIFLUORO-2-METHOXYPHENYL)BORONIC ACID, 97)
  • Hazard Symbols IrritantXi
  • Synonyms Boronicacid, (3,5-difluoro-2-methoxyphenyl)- (9CI);3,5-Difluoro-2-methoxyphenylboronic acid;
  • PSA 49.69000
  • LogP -0.34680

Boronic acid,B-(3,5-difluoro-2-methoxyphenyl)- Specification

The Boronic acid,B-(3,5-difluoro-2-methoxyphenyl)-, with the CAS registry number 737000-76-9, is also known as 2-Methoxy-3,5-difluoro-benzeneboronic acid. This chemical's molecular formula is C7H7BF2O3 and molecular weight is 187.9365. What's more, both its IUPAC name and systematic name are the same which is called (3,5-Difluoro-2-methoxyphenyl)boronic acid. Besides, this chemical may cause inflammation to the skin or other mucous membranes. In addition, it should be stored in airtight containers and placed in a dry, cool place.

Physical properties about Boronic acid,B-(3,5-difluoro-2-methoxyphenyl)- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 9.93; (6)ACD/BCF (pH 7.4): 1.2; (7)ACD/KOC (pH 5.5): 175.04; (8)ACD/KOC (pH 7.4): 21.08; (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: 15.8×10-24 cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 159.4 °C; (20)Enthalpy of Vaporization: 61.57 kJ/mol; (21)Boiling Point: 339.9 °C at 760 mmHg; (22)Vapour Pressure: 3.45E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(F)cc(B(O)O)c1OC
(2) InChI: InChI=1/C7H7BF2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3,11-12H,1H3
(3) InChIKey: JXQHRWOUVJRCSR-UHFFFAOYAD

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View