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CAS No.: | 69857-33-6 |
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Name: | 1,4-bis(broMoMethyl)-2-fluorobenzene |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H7Br2F |
Molecular Weight: | 281.95 |
Synonyms: | 1-fluoro-2,5-bis(bromomethyl)benzene;Benzene,1,4-bis(bromomethyl)-2-fluoro; |
Density: | 1.847 g/cm3 |
Boiling Point: | 274.196 °C at 760 mmHg |
Flash Point: | 119.63 °C |
PSA: | 0.00000 |
LogP: | 3.61550 |
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The Benzene,1,4-bis(bromomethyl)-2-fluoro- has CAS registry number 69857-33-6. This chemical's molecular formula is C8H7Br2F and molecular weight is 281.95. What's more, its systematic name is 1,4-bis(bromomethyl)-2-fluorobenzene.
Physical properties of Benzene,1,4-bis(bromomethyl)-2-fluoro- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 363; (6)ACD/BCF (pH 7.4): 363; (7)ACD/KOC (pH 5.5): 2367; (8)ACD/KOC (pH 7.4): 2367; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 51.543 cm3; (15)Molar Volume: 152.628 cm3; (16)Polarizability: 20.433×10-24cm3; (17)Surface Tension: 43.644 dyne/cm; (18)Density: 1.847 g/cm3; (19)Flash Point: 119.63 °C; (20)Enthalpy of Vaporization: 49.196 kJ/mol; (21)Boiling Point: 274.196 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc(cc1F)CBr
(2)Std. InChI: InChI=1S/C8H7Br2F/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2
(3)Std. InChIKey: DTZIIJGSYDFCQT-UHFFFAOYSA-N