4-(Trifluoromethoxy)phenylacetic acid supplier

Name
4-(TRIFLUOROMETHOXY)PHENYLACETIC ACID
EINECS -0
CAS No. 4315-07-5
Article Data6
CAS DataBase
Density 1.399 g/cm³
Solubility
Melting Point 85-88 °C
Formula C₉H₇F₃O₃
Boiling Point 260.6 °C at 760 mmHg
Molecular Weight 220.148
Flash Point 111.4 °C
Transport Information
Appearance
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, [p-(trifluoromethoxy)phenyl]- (7CI,8CI);4-(Trifluoromethoxy)phenylaceticacid;2-[4-(Trifluoromethoxy)phenyl]acetic acid;Benzeneacetic acid, 4-(trifluoromethoxy)-;Maybridge3_006163;AC1MCRMI;AC1Q74YE;542962_ALDRICH;MolPort-000-146-145;HMS1448I03;ALBB-005929;CID2777319;
PSA 46.53000
LogP 2.21230

4-(Trifluoromethoxy)phenylacetic acid Specification

The 4-(Trifluoromethoxy)phenylacetic acid with CAS registry number of 4315-07-5 is also known as Benzeneacetic acid, 4-(trifluoromethoxy)-. The IUPAC name is 2-[4-(Trifluoromethoxy)phenyl]acetic acid. It belongs to product categories of Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid; C9; Carbonyl Compounds; Carboxylic Acids. In addition, the formula is C₉H₇F₃O₃ and the molecular weight is 220.15.

Physical properties about 4-(Trifluoromethoxy)phenylacetic acid are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1.66; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.85; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.477; (13)Molar Refractivity: 44.5 cm³; (14)Molar Volume: 157.2 cm³; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 1.399 g/cm³; (17)Flash Point: 111.4 °C; (18)Enthalpy of Vaporization: 52.65 kJ/mol; (19)Boiling Point: 260.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00615 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1CC(=O)O)OC(F)(F)F
2. InChI: InChI=1S/C9H7F3O3/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
3. InChIKey: ZMTIBXQPXBUWPQ-UHFFFAOYSA-N

Product Name

4-(TRIFLUOROMETHOXY)PHENYLACETIC ACID

4-(Trifluoromethoxy)phenylacetic acid Specification

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