4-fluoro-2-methoxybenzoic acid methyl ester supplier

Name
4-fluoro-2-methoxybenzoic acid methyl ester
EINECS 200-258-5
CAS No. 204707-42-6
Article Data11
CAS DataBase
Density 1.184 g/cm³
Solubility
Melting Point 134-136 °C
Formula C₉H₉FO₃
Boiling Point 231.646 °C at 760 mmHg
Molecular Weight 184.167
Flash Point 91.331 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Fluoro-2-methoxybenzoic acid;
PSA 35.53000
LogP 1.62090

4-fluoro-2-methoxybenzoic acid methyl ester Specification

The 4-fluoro-2-methoxybenzoic acid methyl ester, with the CAS registry number of 204707-42-6, is also known as 4-Fluoro-2-methoxybenzoic acid. It belongs to the product categories of Aromatic Esters; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. Its molecular formula is C₉H₉FO₃ and molecular weight is 184.16. What's more, its systematic name is Methyl 4-fluoro-2-methoxybenzoate.

Physical properties about the 4-fluoro-2-methoxybenzoic acid methyl ester are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 362; (8)ACD/KOC (pH 7.4): 362; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 44.698 cm³; (15)Molar Volume: 155.538 cm³; (16)Surface Tension: 34.121 dyne/cm; (17)Density: 1.184 g/cm³; (18)Flash Point: 91.331 °C; (19)Enthalpy of Vaporization: 46.831 kJ/mol; (20)Boiling Point: 231.646 °C at 760 mmHg; (21)Vapour Pressure: 0.062 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(OC)c(C(=O)OC)cc1
(2) InChI: InChI=1/C9H9FO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
(3) InChIKey: LJUAEPNTXDJBRX-UHFFFAOYAA

Product Name

4-fluoro-2-methoxybenzoic acid methyl ester

4-fluoro-2-methoxybenzoic acid methyl ester Specification

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