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843663-18-3

Basic Information
CAS No.: 843663-18-3
Name: 4-Cyano-3-fluorophenylboronic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 843663-18-3 (4-Cyano-3-fluorophenylboronic acid)
Formula: C7H5BFNO2
Molecular Weight: 164.932
Synonyms: Boronicacid, (4-cyano-3-fluorophenyl)- (9CI);3-Fluoro-4-cyanophenylboronic acid;
Density: 1.35 g/cm3
Melting Point: 362-366 °C
Boiling Point: 354.4 °C at 760 mmHg
Flash Point: 168.2 °C
Hazard Symbols: Xn
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 64.25000
LogP: -0.62282
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Chemistry

Product Name: 4-Cyano-3-fluorophenylboronic acid (CAS NO.843663-18-3)

MF: C7H5BFNO2                                  
MW: 164.93
Index of Refraction: 1.535 
Density: 1.35 g/ml 
Flash Point: 168.2 °C
Boiling Point: 354.4 °C
Melting Point: 362-366 °C
Storage temp: Keep Cold
Molar Refractivity: 37.96 cm3 
Molar Volume: 121.9 cm3 
Surface Tension: 51.5 dyne/cm
Enthalpy of Vaporization: 63.26 kJ/mol
Vapour Pressure: .23E-05 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of 4-Cyano-3-fluorophenylboronic acid (CAS NO.843663-18-3):
  IUPAC Name: (4-cyano-3-fluorophenyl)boronic acid
  Canonical SMILES: B(C1=CC(=C(C=C1)C#N)F)(O)O
  InChI: InChI=1S/C7H5BFNO2/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,11-12H
  InChIKey: DECWLXUOZUMPBF-UHFFFAOYSA-N
Product Categories: blocks; BoronicAcids; Miscellaneous; Boronic Acid 

Safety Profile

Safety information of 4-Cyano-3-fluorophenylboronic acid (843663-18-3):
Risk Statements 
20/21/22  Harmful by inhalation, in contact with skin and if swallowed
36/37/38  Irritating to eyes, respiratory system and skin
Safety Statements 
26  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39  Wear suitable protective clothing, gloves and eye/face protection
RIDADR  3439
Hazard Note  Harmhul/Keep Cold

Specification

  4-Cyano-3-fluorophenylboronic acid , its CAS NO. is 843663-18-3, the synonyms are 4-Cyano-3-fluorobenzeneboronic acid ; Boronic acid, (4-cyano-3-fluorophenyl)- ; QBQR CF DCN ; 4-Borono-2-fluorobenzonitrile ; TL8005513 .