CAS No.116465-48-6,2,5-Difluoro-4-nitrobenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	116465-48-6
Name:	2,5-Difluoro-4-nitrobenzoic acid
Article Data:	2

Formula:	C₇H₃F₂NO₄
Molecular Weight:	203.102
Synonyms:	2,5-Difluoro-4-nitrobenzoicacid;4-Nitro-2,5-difluorobenzoic acid;NSC 59332;2,5-difluoro-4-nitrobenzoic acid;Benzoic acid, 2,5-difluoro-4-nitro-;
Density:	1.661 g/cm³
Melting Point:	147-148 °C
Boiling Point:	364.8 °C at 760 mmHg
Flash Point:	174.4 °C
Solubility:	Slightly soluble in water.
Appearance:	solid
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant; "> Xi:Irritant;
Safety:	26-37-60
PSA:	83.12000
LogP:	2.09440

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Specification

The 2,5-Difluoro-4-nitrobenzoic acid, with the CAS registry number 116465-48-6, has the systematic name of 2,5-difluoro-4-nitrobenzoic acid. The molecular formula of this chemical is C₇H₃F₂NO₄. It is a kind of irritant chemical, and belongs to the product category of API intermediates.

The physical properties of 2,5-Difluoro-4-nitrobenzoic acid are as following: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 72.12 Å²; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 39.71 cm³; (13)Molar Volume: 122.2 cm³; (14)Polarizability: 15.74×10^-24cm³; (15)Surface Tension: 59.2 dyne/cm; (16)Density: 1.661 g/cm³; (17)Flash Point: 174.4 °C; (18)Enthalpy of Vaporization: 64.47 kJ/mol; (19)Boiling Point: 364.8 °C at 760 mmHg; (20)Vapour Pressure: 5.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(F)c(cc1F)C(=O)O
(2)InChI: InChI=1/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
(3)InChIKey: GPTNSBLYGCZJQV-UHFFFAOYAF