Pyrophosphoric acid (2466-09-3)

The Pyrophosphoric acid, with the CAS registry number 2466-09-3 and EINECS registry number 219-574-0, has the IUPAC name of phosphono dihydrogen phosphate. It is a kind of white to very pale yellow glassy solid, and belongs to the product category of API intermediates. And the molecular formula of the chemical is H₄P₂O₇.

The characteristics of Pyrophosphoric acid are as followings: (1)ACD/LogP: -3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.96; (4)ACD/LogD (pH 7.4): -8.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 99.91Ų; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 23.68 cm³; (13)Molar Volume: 73.2 cm³; (14)Polarizability: 9.38×10^-24cm³; (15)Surface Tension: 166.3 dyne/cm; (16)Density: 2.43 g/cm³. 

You should be cautious while dealing with this chemical. It is harmful if swallowed, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=P(O)(O)OP(=O)(O)O
(2)InChI: InChI=1/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
(3)InChIKey: XPPKVPWEQAFLFU-UHFFFAOYAX

The toxicity data is as follows: