Basic Information | Post buying leads | Suppliers |
Name |
4-Bromo-2-chloro-5-fluorotoluene |
EINECS | N/A |
CAS No. | 93765-83-4 | Density | 1.618 g/cm3 |
PSA | 0.00000 | LogP | 3.55000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5BrClF | Boiling Point | 221.1 °C at 760 mmHg |
Molecular Weight | 223.472 | Flash Point | 87.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-(Trifluoromethyl)thiophenol;Benzene, 1-Bromo-5-Chloro-2-Fluoro-4-Methyl-; |
The Benzene,1-bromo-5-chloro-2-fluoro-4-methyl-, methyl ester, (2S)-, with the CAS registry number 93765-83-4, has the systematic name and IUPAC name of 1-bromo-5-chloro-2-fluoro-4-methylbenzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H5BrClF.
The characteristics of Benzene,1-bromo-5-chloro-2-fluoro-4-methyl- are as followings: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 551.43; (6)ACD/BCF (pH 7.4): 551.43; (7)ACD/KOC (pH 5.5): 3191.27; (8)ACD/KOC (pH 7.4): 3191.27; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 43.65 cm3; (15)Molar Volume: 138 cm3; (16)Polarizability: 17.3×10-24cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.618 g/cm3; (19)Flash Point: 87.5 °C; (20)Enthalpy of Vaporization: 43.89 kJ/mol; (21)Boiling Point: 221.1 °C at 760 mmHg; (22)Vapour Pressure: 0.162 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(c(Cl)cc1Br)C
(2)InChI: InChI=1/C7H5BrClF/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,1H3
(3)InChIKey: GYFUSHKOOPPODA-UHFFFAOYAG