2-Bromo-4-(trifluoromethyl)benzeneacetic acid supplier

Name
2-BROMO-4-(TRIFLUORMETHYL)PHENYLACETIC ACID
EINECS
CAS No. 518070-15-0
Density 1.699 g/cm³
Solubility
Melting Point
Formula C₉H₆BrF₃O₂
Boiling Point 303.6 °C at 760 mmHg
Molecular Weight 283.045
Flash Point 137.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [2-bromo-4-(trifluoromethyl)phenyl]acetic acid;2-[2-bromo-4-(trifluoromethyl)phenyl]acetic acid;2-Bromo-4-(trifluormethyl)phenylacetic acid;
PSA 37.30000
LogP 3.09500

2-Bromo-4-(trifluoromethyl)benzeneacetic acid Specification

The Benzeneacetic acid, 2-bromo-4-(trifluoromethyl)-, with the CAS registry number 518070-15-0, has the systematic name of [2-bromo-4-(trifluoromethyl)phenyl]acetic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₆BrF₃O₂.

The characteristics of Benzeneacetic acid, 2-bromo-4-(trifluoromethyl)- are as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 50.03 cm³; (15)Molar Volume: 166.5 cm³; (16)Polarizability: 19.83×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.699 g/cm³; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 57.43 kJ/mol; (21)Boiling Point: 303.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000405 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(ccc1CC(=O)O)C(F)(F)F
(2)InChI: InChI=1/C9H6BrF3O2/c10-7-4-6(9(11,12)13)2-1-5(7)3-8(14)15/h1-2,4H,3H2,(H,14,15)
(3)InChIKey: VZOPDTMYQJUIIU-UHFFFAOYAR

Product Name

2-BROMO-4-(TRIFLUORMETHYL)PHENYLACETIC ACID

2-Bromo-4-(trifluoromethyl)benzeneacetic acid Specification

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