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| CAS No.: | 38126-07-7 |
|---|---|
| Name: | Bromodifluoroacetyl fluoride |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C2BrF3O |
| Molecular Weight: | 176.921 |
| Synonyms: | Acetylfluoride, bromodifluoro- (9CI);Difluorobromoacetyl fluoride; |
| Density: | 2.005 g/cm3 |
| Boiling Point: | 87.7 °C at 760 mmHg |
| Flash Point: | 6.9 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 1.47020 |
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Specification
The Bromodifluoroacetyl fluoride is an organic compound with the formula C2BrF3O. The systematic name of this chemical is bromo(difluoro)acetyl fluoride. With the CAS registry number 38126-07-7, it is also named as 2-bromo-2,2-difluoroacetyl fluoride.
Physical properties about Bromodifluoroacetyl fluoride are: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.35; (3)ACD/LogD (pH 7.4): 2.35; (4)ACD/BCF (pH 5.5): 35.7; (5)ACD/BCF (pH 7.4): 35.7; (6)ACD/KOC (pH 5.5): 449.76; (7)ACD/KOC (pH 7.4): 449.76; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.361; (12)Molar Refractivity: 19.53 cm3; (13)Molar Volume: 88.2 cm3; (14)Polarizability: 7.74×10-24cm3; (15)Surface Tension: 22.6 dyne/cm; (16)Density: 2.004 g/cm3; (17)Flash Point: 6.9 °C; (18)Enthalpy of Vaporization: 32.79 kJ/mol; (19)Boiling Point: 87.7 °C at 760 mmHg; (20)Vapour Pressure: 62.9 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-trifluoromethoxy-2-bromotrifluoroethyl fluorosulfate. This reaction will need reagent KF. The reaction temperature is 100 - 130 °C. The yield is about 83.9%.
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Uses of Bromodifluoroacetyl fluoride: it can be used to produce 4-nitrobenzyl bromodifluoroacetate at temperature of 0 - 10 °C. It will need reagent pyridine with reaction time of 10 min. The yield is about 79%.
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When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(F)(F)C(F)=O
(2)InChI: InChI=1/C2BrF3O/c3-2(5,6)1(4)7
(3)InChIKey: REOFZGQDJKOKFI-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C2BrF3O/c3-2(5,6)1(4)7
(5)Std. InChIKey: REOFZGQDJKOKFI-UHFFFAOYSA-N