3-Fluoro-2-nitrobenzoic acid supplier

Name
3-Fluoro-2-nitrobenzoic acid
EINECS
CAS No. 1000339-51-4
Density 1.568 g/cm³
Solubility
Melting Point
Formula C₇H₄FNO₄
Boiling Point 354.2 °C at 760 mmHg
Molecular Weight 185.11
Flash Point 168 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoic acid, 3-fluoro-2-nitro-;
PSA 83.12000
LogP 1.95530

3-Fluoro-2-nitrobenzoic acid Specification

The 3-Fluoro-2-nitrobenzoic acid, with the CAS registry number 1000339-51-4, is also known as Benzoic acid, 3-fluoro-2-nitro-. This chemical's molecular formula is C₇H₄FNO₄ and molecular weight is 185.11.

Physical properties of 3-Fluoro-2-nitrobenzoic acid are: (1)ACD/LogP: 1.52; (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: 83.12 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 39.72 cm³; (13)Molar Volume: 118 cm³; (14)Polarizability: 15.74×10^-24 cm³; (15)Surface Tension: 62.6 dyne/cm; (16)Density: 1.568 g/cm³; (17)Flash Point: 168 °C; (18)Enthalpy of Vaporization: 63.23 kJ/mol; (19)Boiling Point: 354.2 °C at 760 mmHg; (20)Vapour Pressure: 1.25E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1c(cccc1F)C(O)=O
(2)InChI: InChI=1/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
(3)InChIKey: DTGONJAUUOWYGB-UHFFFAOYAA

Product Name

3-Fluoro-2-nitrobenzoic acid

3-Fluoro-2-nitrobenzoic acid Specification

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