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| CAS No.: | 13498-14-1 |
|---|---|
| Name: | Diphosphoryl chloride |
| Molecular Structure: | |
|
|
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| Formula: | Cl4O3P2 |
| Molecular Weight: | 251.758 |
| Synonyms: | Pyrophosphorylchloride (6CI,7CI,8CI);Phosphorodichloridic anhydride;Phosphorus chlorideoxide (P2Cl4O3);Pyrophosphoryl tetrachloride;Tetrachloropyrophosphoric acid; |
| EINECS: | 236-824-4 |
| Density: | 1.956 g/cm3 |
| Melting Point: | <-50°C |
| Boiling Point: | 90 °C12 mm Hg(lit.) |
| Flash Point: | 101°C/10mm |
| Solubility: | Reacts violently with waterMiscible with most organic solvents. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3264 8/PG 2 |
| PSA: | 62.99000 |
| LogP: | 4.17440 |
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Specification
The Diphosphoryl chloride, with the cas registry number 13498-14-1, is also known as Pyrophosphoric tetrachloride and Pyrophosphoryl chloride. It belongs to the product categories of Pharmaceutical Intermediates; Phosphorylation; Synthetic Organic Chemistry. Its EINECS number is 236-824-4. This chemical's molecular formula is Cl4O3P2 and formula weight is 251.76. What's more, its systematic name is called Diphosphoryl tetrachloride.
Physical properties about this chemical are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.24; (6)ACD/BCF (pH 7.4): 4.24; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 62.99 Å2; (11)Index of Refraction: 1.485; (12)Molar Refractivity: 36.93 cm3; (13)Molar Volume: 128.7 cm3; (14)Surface Tension: 54.5 dyne/cm; (15)Density: 1.955 g/cm3; (16)Melting Point: <-50°C; (17)Flash Point: 101°C/10mm; (18)Storage Temp.: -20°C; (19)Boiling Point: 90 °C 12 mm Hg(lit.); (20)Sensitive: Air & Moisture Sensitive.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. Secondly, it will react violently with water and it can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=P(OP(=O)(Cl)Cl)(Cl)Cl
(2)InChI: InChI=1S/Cl4O3P2/c1-8(2,5)7-9(3,4)6
(3)InChIKey: CNTIXUGILVWVHR-UHFFFAOYSA-N