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304671-71-4

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Basic Information
CAS No.: 304671-71-4
Name: COPPER (II) PYROPHOSPHATE
Molecular Structure:
Molecular Structure of 304671-71-4 (COPPER (II) PYROPHOSPHATE)
Formula: Cu2P2O7.H2O
Molecular Weight: 319.05
Synonyms: 304671-71-4
EINECS: 239-250-2
Appearance: blue powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 182.92000
LogP: 0.74330
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Specification

With the CAS registry number 304671-71-4, Cupric pyrophosphate hydrate is also named as Copper(II) pyrophosphate hydrate. It is blue powder which is little harm to water. People should not release the material to the environment without government permission. In addition, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -8; (4)ACD/LogD (pH 7.4): -9; (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: 143.91 ?2.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:[Cu+2].[Cu+2].[O-]P([O-])(=O)OP([O-])([O-])=O
2. InChI:InChI=1/2Cu.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4 
3. InChIKey:PEVJCYPAFCUXEZ-XBHQNQODAD