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| CAS No.: | 175278-33-8 |
|---|---|
| Name: | 2-(DIFLUOROMETHOXY)BROMOBENZENE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H5BrF2O |
| Molecular Weight: | 223.017 |
| Synonyms: | 2-Bromophenyl difluoromethyl ether;2-(Difluoromethoxy)bromobenzene; |
| Density: | 1.583 g/cm3 |
| Boiling Point: | 199.19 °C at 760 mmHg |
| Flash Point: | 88.347 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 9.23000 |
| LogP: | 3.05050 |
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Specification
The IUPAC name of 1-Bromo-2-(difluoromethoxy)benzene is 1-bromo-2-(difluoromethoxy)benzene. With the CAS registry number 175278-33-8, it is also named as 2-(Difluoromethoxy)bromobenzene. Besides, it is yellow liquid, which should be stored in sealed, cool, ventilated and dry place. In addition, its molecular formula is C7H5BrF2O and molecular weight is 223.01.
The other characteristics of 1-Bromo-2-(difluoromethoxy)benzene can be summarized as: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 91.75; (6)ACD/BCF (pH 7.4): 91.75; (7)ACD/KOC (pH 5.5): 884; (8)ACD/KOC (pH 7.4): 884; (9)H bond acceptors: 1; (10)H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 40.9 cm3; (15)Molar Volume: 140.8 cm3; (16)Polarizability: 16.21×10-24cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 1.582 g/cm3; (19)Flash Point: 88.3 °C; (20)Enthalpy of Vaporization: 41.76 kJ/mol; (21)Boiling Point: 199.2 °C at 760 mmHg; (22)Vapour Pressure: 0.489 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1ccccc1OC(F)F
(2)InChI:InChI=1/C7H5BrF2O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H
(3)InChIKey:VHEICCMNYWNFQX-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C7H5BrF2O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H
(5)Std. InChIKey:VHEICCMNYWNFQX-UHFFFAOYSA-N