3-Chloro-4-(trifluoromethoxy)benzoicacid supplier

Name
3-Chloro-4-(trifluoromethoxy)benzoicacid
EINECS
CAS No. 158580-93-9
Density 1.559 g/cm³
Solubility
Melting Point
Formula C₈H₄ClF₃O₃
Boiling Point 258.949 °C at 760 mmHg
Molecular Weight 239.98
Flash Point 110.409 °C
Transport Information
Appearance white crystal powder
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms PBA
PSA 46.53000
LogP 2.93680

3-Chloro-4-(trifluoromethoxy)benzoicacid Specification

The Benzoic acid,3-chloro-4-(trifluoromethoxy)- is an organic compound with the formula C₈H₄ClF₃O₃. The IUPAC name of this chemical is 3-chloro-5-(trifluoromethoxy)benzoic acid. With the CAS registry number 158580-93-9, it is also named as 3-Chloro-4-(trifluoromethoxy)benzoic acid.

Physical properties about Benzoic acid,3-chloro-4-(trifluoromethoxy)- are: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 6.06; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.33; (7)ACD/KOC (pH 7.4): 2.79; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 45.21 cm³; (14)Molar Volume: 154.3 cm³; (15)Polarizability: 17.92×10^-24cm³; (16)Surface Tension: 38.9 dyne/cm; (17)Density: 1.558 g/cm³; (18)Flash Point: 110.4 °C; (19)Enthalpy of Vaporization: 52.46 kJ/mol; (20)Boiling Point: 258.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00681 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1OC(F)(F)F)C(=O)O
(2)InChI: InChI=1/C8H4ClF3O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)
(3)InChIKey: QGVQWEOEEXGRSD-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H4ClF3O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)
(5)Std. InChIKey: QGVQWEOEEXGRSD-UHFFFAOYSA-N

Product Name

3-Chloro-4-(trifluoromethoxy)benzoicacid

3-Chloro-4-(trifluoromethoxy)benzoicacid Specification

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