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| CAS No.: | 1641-40-3 |
|---|---|
| Name: | 1,2-PHENYLENE PHOSPHOROCHLORIDITE |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C6H4ClO2P |
| Molecular Weight: | 174.523 |
| Synonyms: | Chloro(1,2-phenylenedioxy)phosphine;Cyclic o-phenylene phosphorochloridite;Phosphorochloridous acid orthophenyleneester;O-Phenylene phosphorochloridite ((C6H4O2)ClP);Pyrocatechol phosphoryl chloride;O-Phenylene chlorophosphite;2-Chloro-1,3,2-benzodioxaphospholane;2-Chloro-1,3,2-benzodioxaphosphole;2-Chloro-4,5-benzo-1,3,2-dioxaphospholane;Phosphorochloridousacid, cyclic o-phenylene ester (8CI);O-Phenylene phosphorochloridite(6CI,7CI);Pyrocatechol, cyclic phosphorochloridite (8CI);1,2-Phenylenephosphorochloridite;1,2-Phenylene phosphorochloridite ((C6H4O2)ClP); |
| EINECS: | 216-690-3 |
| Density: | 1.466 g/mL at 25 °C(lit.) |
| Melting Point: | 30-35 °C(lit.) |
| Boiling Point: | 182.4 °C at 760 mmHg |
| Flash Point: | 64.1 °C |
| Appearance: | Colourless Liquid Which Solidifies at Low Temperature |
| Hazard Symbols: |
 C
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| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 26.28000 |
| LogP: | 3.57650 |
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Specification
The 1,3,2-Benzodioxaphosphole,2-chloro-, with the CAS registry number 1641-40-3, is also known as 1,2-Phenylene phosphorochloridite. Its EINECS number is 216-690-3. It belongs to the product categories of Phospholipids - 13C & 2H; Phosphorylating and Phosphitylating Agents. This chemical's molecular formula is C6H4ClO2P and molecular weight is 174.52. What's more, its systematic name is 2-Chloro-1,3,2-benzodioxaphosphole. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from moisture, oxides and bases.
Physical properties of 1,3,2-Benzodioxaphosphole,2-chloro- are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 226.62; (6)ACD/BCF (pH 7.4): 226.62; (7)ACD/KOC (pH 5.5): 1688.62; (8)ACD/KOC (pH 7.4): 1688.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.05 Å2 ; (13)Flash Point: 64.1 °C; (14)Enthalpy of Vaporization: 40.14 kJ/mol; (15)Boiling Point: 182.4 °C at 760 mmHg; (16)Vapour Pressure: 1.11 mmHg at 25°C.
Uses of 1,3,2-Benzodioxaphosphole,2-chloro-: it can be used to produce 2-fluoro-benzo[1,3,2]dioxaphosphole by heating. It will need reagent SbF3. The yield is about 90%.
![1,3,2-Benzodioxaphosphole,2-chloro- can be used to produce 2-fluoro-benzo[1,3,2]dioxaphosphole by heating](/UserFilesUpload/Uses of 1,3,2-Benzodioxaphosphole,2-chloro-.png)
When you are using this chemical, please be cautious about it as the following:
It cause burns. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). What's more, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: ClP1Oc2ccccc2O1
(2)InChI: InChI=1S/C6H4ClO2P/c7-10-8-5-3-1-2-4-6(5)9-10/h1-4H
(3)InChIKey: YUJYEGDMJZHLMY-UHFFFAOYSA-N