Name: 2-Fluoro-4-chlorobenzyl bromide
SKU: 71916-82-0

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Basic Information

Molecular Structure:
CAS No.:	71916-82-0
Name:	2-Fluoro-4-chlorobenzyl bromide
Article Data:	7

Formula:	C₇H₅BrClF
Molecular Weight:	223.472
Synonyms:	1-(Bromomethyl)-4-chloro-2-fluorobenzene;4-Chloro-2-fluorobenzyl bromide;
EINECS:	615-694-6
Density:	1.654g/cm³
Boiling Point:	222 °C at 760 mmHg
Flash Point:	88.1 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	C
Risk Codes:	34-36/37/38
Safety:	26-36/37/39-45
PSA:	0.00000
LogP:	3.37400

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Specification

The Benzene,1-(bromomethyl)-4-chloro-2-fluoro-, with CAS registry number 71916-82-0, belongs to the following product category: Aromatic Halides (substituted). It has the systematic name of 1-(bromomethyl)-4-chloro-2-fluorobenzene. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C₇H₅BrClF.

Physical properties of Benzene,1-(bromomethyl)-4-chloro-2-fluoro-: (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)Enthalpy of Vaporization: 43.98 kJ/mol; (19)Vapour Pressure: 0.155 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(bromomethyl)-4-chloro-2-fluoro- irritates to eyes, respiratory system and skin. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(F)cc(Cl)cc1
(2)InChI: InChI=1/C7H5BrClF/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
(3)InChIKey: UFCSSWZQROEFBZ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H5BrClF/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
(5)Std. InChIKey: UFCSSWZQROEFBZ-UHFFFAOYSA-N