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CAS No.: | 493024-39-8 |
---|---|
Name: | 3-Chloro-5-fluorobenzyl Bromide |
Molecular Structure: | |
Formula: | C7H5BrClF |
Molecular Weight: | 223.472 |
Synonyms: | 1-(Bromomethyl)-3-chloro-5-fluorobenzene;3-Chloro-5-fluorobenzyl bromide; |
Density: | 1.654 g/cm3 |
Melting Point: | 25-30 °C |
Boiling Point: | 219.1 °C at 760 mmHg |
Flash Point: | 86.3 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 45-36/37/39-26 |
Transport Information: | UN3261 |
PSA: | 0.00000 |
LogP: | 3.37400 |
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This chemical is called Benzene, 1-(bromomethyl)-3-chloro-5-fluoro-, and its systematic name is 1-(bromomethyl)-3-chloro-5-fluorobenzene. With the molecular formula of C7H5BrClF, its molecular weight is 223.47. The CAS registry number of this chemical is 493024-39-8. Additionally, it is white to light yellow crystal powder.
Other characteristics of the Benzene, 1-(bromomethyl)-3-chloro-5-fluoro- can be summarised as followings: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 139.54; (6)ACD/BCF (pH 7.4): 139.54; (7)ACD/KOC (pH 5.5): 1193.38; (8)ACD/KOC (pH 7.4): 1193.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 43.78 cm3; (15)Molar Volume: 135 cm3; (16)Polarizability: 17.35×10-24cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.654 g/cm3; (19)Flash Point: 86.3 °C; (20)Enthalpy of Vaporization: 43.69 kJ/mol; (21)Boiling Point: 219.1 °C at 760 mmHg; (22)Vapour Pressure: 0.179 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. Wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell or in accident, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(cc(Cl)c1)CBr
2.InChI: InChI=1/C7H5BrClF/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
3.InChIKey: PKSAHOPFPPAUOD-UHFFFAOYAG