(4-CYANO-2-NITROPHENYL)BORONIC ACID

The Boronic acid,B-(4-cyano-2-nitrophenyl)-, with the CAS registry number 850568-46-6, is also known as Boronicacid, (4-cyano-2-nitrophenyl)- (9CI). It belongs to the product categories of Blocks; BoronicAcids; Carboxes; NitroCompounds. This chemical's molecular formula is C₇H₅BN₂O₄ and molecular weight is 191.94. What's more, its systematic name is called (4-Cyano-2-nitrophenyl)boronic acid.

Physical properties about Boronic acid,B-(4-cyano-2-nitrophenyl)- are: (1) ACD/LogP: 0.54; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 6; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 88.07 Å²; (7) Index of Refraction: 1.595; (8) Molar Refractivity: 43.88 cm³; (9)Molar Volume: 129 cm³; (10) Surface Tension: 72.4 dyne/cm; (11) Density: 1.48 g/cm³; (12) Flash Point: 208.7 °C; (13) Enthalpy of Vaporization: 71.21 kJ/mol; (14) Boiling Point: 421.5 °C at 760 mmHg; (15) Vapour Pressure: 7.4E-08 mmHg at 25 °C; (16) Melting Point: 110-116 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. In addition, it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

Irritating to eyes, respiratory system and skin
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(c([N+]([O-])=O)c1)B(O)O
(2) InChI: InChI=1/C7H5BN2O4/c9-4-5-1-2-6(8(11)12)7(3-5)10(13)14/h1-3,11-12H
(3) InChIKey: YDIOTBNYNPBRFF-UHFFFAOYAZ