Name: 2-CHLORO-3-FLUOROTOLUENE
SKU: 116850-28-3

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Basic Information

Molecular Structure:
CAS No.:	116850-28-3
Name:	2-CHLORO-3-FLUOROTOLUENE
Article Data:	3

Formula:	C₇H₆ClF
Molecular Weight:	144.576
Synonyms:	2-Chloro-3-fluorotoluene;2-Chlor-1-fluor-3-methylbenzol;
EINECS:	285-407-3
Density:	1.186 g/cm³
Boiling Point:	164.4 °C at 760 mmHg
Flash Point:	53.5 °C
PSA:	0.00000
LogP:	2.78750

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Specification

The Benzene,2-chloro-1-fluoro-3-methyl-, with the CAS registry number 116850-28-3, is also known as 2-Chloro-3-fluorotoluene. It belongs to the product categories of Fluorin-Contained Toluene Series; Halogen Toluene. This chemical's molecular formula is C₇H₆ClF and molecular weight is 144.57. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-1-fluoro-3-methylbenzene.

Physical properties about Benzene,2-chloro-1-fluoro-3-methyl- are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 239.99; (6)ACD/BCF (pH 7.4): 239.99; (7)ACD/KOC (pH 5.5): 1759.36; (8)ACD/KOC (pH 7.4): 1759.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 35.96 cm³; (15)Molar Volume: 121.8 cm³; (16)Surface Tension: 31.1 dyne/cm; (17)Density: 1.186 g/cm³; (18)Flash Point: 53.5 °C; (19)Enthalpy of Vaporization: 38.44 kJ/mol; (20)Boiling Point: 164.4 °C at 760 mmHg; (21)Vapour Pressure: 2.58 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cccc(F)c1Cl
(2) InChI: InChI=1S/C7H6ClF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
(3) InChIKey: YSCFYJSLWLBAND-UHFFFAOYSA-N