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3-Chloro-4-trifluoromethoxybenzylbromide

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Name

3-Chloro-4-trifluoromethoxybenzylbromide

EINECS N/A
CAS No. 261763-18-2 Density 1.69 g/cm3
PSA 9.23000 LogP 4.13350
Solubility N/A Melting Point N/A
Formula C8H5BrClF3O Boiling Point 235.2 °C at 760 mmHg
Molecular Weight 289.479 Flash Point 96 °C
Transport Information 3265 Appearance N/A
Safety 26-36/37/39 Risk Codes 34-36/37/38
Molecular Structure Molecular Structure of 261763-18-2 (3-CHLORO-4-(TRIFLUOROMETHOXY)BENZYL BROMIDE) Hazard Symbols CorrosiveC
Synonyms

3-Chloro-4-trifluoromethoxybenzylbromide;4-Bromomethyl-2-chloro-1-trifluoromethoxybenzene;

Article Data 1

3-Chloro-4-trifluoromethoxybenzylbromide Specification

This chemical is called Benzene, 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)-, and its systematic name is 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene. With the molecular formula of C8H5BrClF3O, its molecular weight is 289.48. The CAS registry number of this chemical is 261763-18-2.

Other characteristics of the Benzene, 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)- can be summarised as followings: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 1334.35; (6)ACD/BCF (pH 7.4): 1334.35; (7)ACD/KOC (pH 5.5): 6007.14; (8)ACD/KOC (pH 7.4): 6007.14; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 50.93 cm3; (15)Molar Volume: 171.2 cm3; (16)Polarizability: 20.19×10-24cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.69 g/cm3; (19)Flash Point: 96 °C; (20)Enthalpy of Vaporization: 45.28 kJ/mol; (21)Boiling Point: 235.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0777 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. It causes burns. 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: Clc1cc(ccc1OC(F)(F)F)CBr
2.InChI: InChI=1/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2
3.InChIKey: YTXRMMJPEBWDPE-UHFFFAOYAB

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