Ethyl 4-fluoro-3-nitrobenzoate supplier

Name
Ethyl 4-fluoro-3-nitrobenzoate
EINECS
CAS No. 367-80-6
Article Data32
CAS DataBase
Density 1.333 g/cm³
Solubility
Melting Point 45.3 °C
Formula C₉H₈FNO₄
Boiling Point 312.3 °C at 760 mmHg
Molecular Weight 213.165
Flash Point 142.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Fluoro-3-nitrobenzoicacid ethyl ester;
PSA 72.12000
LogP 2.43380

Ethyl 4-fluoro-3-nitrobenzoate Specification

This chemical is called Benzoic acid, 4-fluoro-3-nitro-, ethyl ester, and its systematic name is Ethyl 4-fluoro-3-nitrobenzoate. With the molecular formula of C₉H₈FNO₄, its molecular weight is 213.16. The CAS registry number of this chemical is 367-80-6. Additionally, its product categories are Fine Chemical & Intermediates; Aromatic Esters.

Other characteristics of the Benzoic acid, 4-fluoro-3-nitro-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.13; (6)ACD/BCF (pH 7.4): 24.13; (7)ACD/KOC (pH 5.5): 339.78; (8)ACD/KOC (pH 7.4): 339.78; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 49.19 cm³; (15)Molar Volume: 159.8 cm³; (16)Polarizability: 19.5×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.333 g/cm³; (19)Flash Point: 142.7 °C; (20)Enthalpy of Vaporization: 55.33 kJ/mol; (21)Boiling Point: 312.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000534 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=N(=O)c1cc(ccc1F)C(=O)OCC
2.InChI: InChI=1/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
3.InChIKey: YONVBKVUSUGBQR-UHFFFAOYAF

Product Name

Ethyl 4-fluoro-3-nitrobenzoate

Ethyl 4-fluoro-3-nitrobenzoate Specification

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