-
Name
1,3-Dibromo-5-(trifluoromethoxy)benzene
- EINECS
- CAS No. 207226-31-1
- Article Data2
- CAS DataBase
- Density 1.972 g/cm3
- Solubility
- Melting Point
- Formula C7H3Br2F3O
- Boiling Point 211.7 °C at 760 mmHg
- Molecular Weight 319.903
- Flash Point 101 °C
- Transport Information
- Appearance
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 1,3-Dibromo-5-trifluoromethoxybenzene;
- PSA 9.23000
- LogP 4.11020
1,3-Dibromo-5-(trifluoromethoxy)benzene Specification
The 1,3-Dibromo-5-(trifluoromethoxy)benzene with the CAS number 207226-31-1 is also called Benzene,1,3-dibromo-5-(trifluoromethoxy)-. Its molecular formula is C7H3Br2F3O. This chemical belongs to the following product categories: (1)Ethers; (2)Organic Building Blocks; (3)Oxygen Compounds.
The properties of the 1,3-Dibromo-5-(trifluoromethoxy)benzene are: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.91; (5)ACD/BCF (pH 5.5): 3150.79; (6)ACD/BCF (pH 7.4): 3150.79; (7)ACD/KOC (pH 5.5): 11111.25; (8)ACD/KOC (pH 7.4): 11111.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 48.76 cm3; (15)Molar Volume: 162.1 cm3; (16)Polarizability: 19.33×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Enthalpy of Vaporization: 42.98 kJ/mol; (19)Vapour Pressure: 0.261 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(OC(F)(F)F)cc(Br)c1
(2)InChI: InChI=1/C7H3Br2F3O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H
(3)InChIKey: UKHOUWWEEAOCTI-UHFFFAOYAB
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