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3583-02-6

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Basic Information
CAS No.: 3583-02-6
Name: 2-BROMO-1,3,2-BENZODIOXAPHOSPHOLE
Article Data: 8
Molecular Structure:
Molecular Structure of 3583-02-6 (2-BROMO-1,3,2-BENZODIOXAPHOSPHOLE)
Formula: C6H4BrO2P
Molecular Weight: 218.974
Synonyms: Phosphorobromidousacid, cyclic o-phenylene ester (8CI);O-Phenylene phosphorobromidite (6CI,7CI);Pyrocatechol, cyclic phosphorobromidite;1,2-Phenylene phosphorobromidite((C6H4O2)BrP);NSC 310108;O-Phenylene phosphorobromidite ((C6H4O2)BrP);2-Bromo-1,3,2-benzodioxaphosphole;
Boiling Point: 240.3 °C at 760 mmHg
Flash Point: 99.2 °C
PSA: 26.28000
LogP: 3.73260
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Specification

The 1,3,2-Benzodioxaphosphole,2-bromo-, with the CAS registry number 3583-02-6, is also known as Pyrocatechol, cyclic phosphorobromidite. This chemical's molecular formula is C6H4BrO2P and molecular weight is 218.97. What's more, its systematic name is 2-Bromo-1,3,2-benzodioxaphosphole.

Physical properties of 1,3,2-Benzodioxaphosphole,2-bromo- are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 32.05 Å2; (7)Flash Point: 99.2 °C; (8)Enthalpy of Vaporization: 45.79 kJ/mol; (9)Boiling Point: 240.3 °C at 760 mmHg; (10)Vapour Pressure: 0.0591 mmHg at 25°C.

Preparation: this chemical can be prepared by benzene-1,2-diol at the temperature of 100 °C. This reaction will need reagents PBr3 and H2O with the reaction time of 15 hours. The yield is about 87%.

1,3,2-Benzodioxaphosphole,2-bromo- can be prepared by benzene-1,2-diol at the temperature of 100 °C

Uses of 1,3,2-Benzodioxaphosphole,2-bromo-: it can be used to produce 2-bromo-1,3,2-benzodioxaphosphole, 2-oxide at the temperature of 5 - 10 °C. It will need reagents Br2, benzaldehyde and solvent CH2Cl2 with the reaction time of 2 hours. The yield is about 71%.

1,3,2-Benzodioxaphosphole,2-bromo- can be used to produce 2-bromo-1,3,2-benzodioxaphosphole, 2-oxide at the temperature of 5 - 10 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)OP(O2)Br
(2)InChI: InChI=1S/C6H4BrO2P/c7-10-8-5-3-1-2-4-6(5)9-10/h1-4H
(3)InChIKey: ZWIZXKBPVIKGJZ-UHFFFAOYSA-N