4-Fluoro-3-(trifluoromethyl)benzoic acid supplier

Name
4-Fluoro-3-(trifluoromethyl)benzoic acid
EINECS
CAS No. 67515-55-3
Article Data3
CAS DataBase
Density 1.489 g/cm³
Solubility
Melting Point 114-116 °C(lit.)
Formula C₈H₄F₄O₂
Boiling Point 256.9 °C at 760 mmHg
Molecular Weight 208.112
Flash Point 109.2 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Fluoro-3-(trifluoromethyl)benzoic acid;4-Fluoro-3-trifluoromethylbenzoicacid;4-fluoro-3-(trifluoromethyl)benzoic acid;Benzoic acid, 4-fluoro-3-(trifluoromethyl)-;
PSA 37.30000
LogP 2.54270

4-Fluoro-3-(trifluoromethyl)benzoic acid Specification

The Benzoic acid,4-fluoro-3-(trifluoromethyl)-, with the CAS registry number 67515-55-3, has the systematic name and IUPAC name of 4-fluoro-3-(trifluoromethyl)benzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; C8; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of the chemical is C₈H₄F₄O₂.

The characteristics of Benzoic acid,4-fluoro-3-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 2.43; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.57; (8)ACD/KOC (pH 7.4): 1.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 38.15 cm³; (15)Molar Volume: 139.6 cm³; (16)Polarizability: 15.12×10^-24cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.489 g/cm³; (19)Flash Point: 109.2 °C; (20)Enthalpy of Vaporization: 52.24 kJ/mol; (21)Boiling Point: 256.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00769 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, 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: FC(F)(F)c1cc(ccc1F)C(=O)O
(2)InChI: InChI=1/C8H4F4O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
(3)InChIKey: WZBPZYCJUADXRS-UHFFFAOYAN

Product Name

4-Fluoro-3-(trifluoromethyl)benzoic acid

4-Fluoro-3-(trifluoromethyl)benzoic acid Specification

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