2-METHYLBENZYLPHOSPHONIC ACID

The Phosphonic acid,[(2-methylphenyl)methyl]- (9CI), with the CAS registry number 18896-56-5, is also known as (2-Methylphenyl)methylphosphonic acid. This chemical's molecular formula is C₈H₁₁O₃P and molecular weight is 186.14. What's more, its systematic name is called (2-Methylbenzyl)phosphonic acid. It should be kept in a ventilated and dry place.

Physical properties about Phosphonic acid,[(2-methylphenyl)methyl]- (9CI) are: (1) ACD/LogP: 0.22; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.92; (4) ACD/LogD (pH 7.4): -3.44; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 45.34 Å²; (13) Index of Refraction: 1.564; (14) Molar Refractivity: 45.93 cm³; (15) Molar Volume: 141.1 cm³; (16) Surface Tension: 56.6 dyne/cm; (17) Density: 1.318 g/cm³; (18) Flash Point: 189.8 °C; (19) Enthalpy of Vaporization: 67.46 kJ/mol; (20) Boiling Point: 390.1 °C at 760 mmHg; (21) Vapour Pressure: 8.72E-07 mmHg at 25 °C; (22) Melting Point: 195 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)Cc1ccccc1C
(2) InChI: InChI=1/C8H11O3P/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
(3) InChIKey: LGLVXZBJGHANDM-UHFFFAOYAN