2-Iodo-4-trifluoromethylbenzoic acid supplier

Name
2-IODO-4-TRIFLUOROMETHYL-BENZOIC ACID
EINECS
CAS No. 54507-44-7
Article Data6
CAS DataBase
Density 2.005 g/cm³
Solubility
Melting Point
Formula C₈H₄F₃IO₂
Boiling Point 300.8 °C at 760 mmHg
Molecular Weight 316.018
Flash Point 135.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 2-iodo-4-(trifluoromethyl)-;
PSA 37.30000
LogP 3.00820

2-Iodo-4-trifluoromethylbenzoic acid Specification

The 2-Iodo-4-trifluoromethylbenzoic acid, with the CAS registry number 54507-44-7, is also known as Benzoic acid, 2-iodo-4-(trifluoromethyl)-. This chemical's molecular formula is C₈H₄F₃IO₂ and molecular weight is 315.920807. Its IUPAC name is called 2-iodo-4-(trifluoromethyl)benzoic acid.

Physical properties of 2-Iodo-4-trifluoromethylbenzoic acid: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.95; (8)ACD/KOC (pH 7.4): 1.49; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 51.06 cm³; (14)Molar Volume: 157.5 cm³; (15)Surface Tension: 42.4 dyne/cm; (16)Density: 2.005 g/cm³; (17)Flash Point: 135.7 °C; (18)Enthalpy of Vaporization: 57.12 kJ/mol; (19)Boiling Point: 300.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000486 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)I)C(=O)O
(2)InChI: InChI=1S/C8H4F3IO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,(H,13,14)
(3)InChIKey: WCLYLTXCKMZNOH-UHFFFAOYSA-N

Product Name

2-IODO-4-TRIFLUOROMETHYL-BENZOIC ACID

2-Iodo-4-trifluoromethylbenzoic acid Specification

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