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CAS No.: | 141080-73-1 |
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Name: | 4-(BROMOMETHYL)-1-FLUORO-2-METHOXYBENZENE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H8BrFO |
Molecular Weight: | 219.053 |
Synonyms: | 5-(Bromomethyl)-2-fluorophenyl methyl ether; |
Density: | 1.489 g/cm3 |
Boiling Point: | 252.29 °C at 760 mmHg |
Flash Point: | 126.362 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 9.23000 |
LogP: | 2.72920 |
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This chemical is called Benzene, 4-(bromomethyl)-1-fluoro-2-methoxy-, and its systematic name is 4-(bromomethyl)-1-fluoro-2-methoxybenzene. With the molecular formula of C8H8BrFO, its molecular weight is 211.99. The CAS registry number of this chemical is 141080-73-1. Additionally, its product categories are Methyl Halides; Phenyls & Phenyl-Het; Methyl Halides; Phenyls & Phenyl-Het.
Other characteristics of the Benzene, 4-(bromomethyl)-1-fluoro-2-methoxy- can be summarised as followings: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 84.23; (6)ACD/BCF (pH 7.4): 84.23; (7)ACD/KOC (pH 5.5): 831.46; (8)ACD/KOC (pH 7.4): 831.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 45.57 cm3; (14)Molar Volume: 147.1 cm3; (15)Polarizability: 18.06×10-24cm3; (16)Surface Tension: 35.8 dyne/cm; (17)Density: 1.488 g/cm3; (18)Flash Point: 126.4 °C; (19)Enthalpy of Vaporization: 46.98 kJ/mol; (20)Boiling Point: 252.3 °C at 760 mmHg; (21)Vapour Pressure: 0.031 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1OC)CBr
2.InChI: InChI=1/C8H8BrFO/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3
3.InChIKey: XRLJROQMXLOJFO-UHFFFAOYAK