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| CAS No.: | 18355-74-3 |
|---|---|
| Name: | METHYL 2,3-DIFLUOROBENZOATE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H6F2O2 |
| Molecular Weight: | 172.131 |
| Synonyms: | Methyl-2,3-difluorbenzolcarboxylat; |
| Density: | 1.268 g/cm3 |
| Boiling Point: | 214.8 °C at 760 mmHg |
| Flash Point: | 81.5 °C |
| Hazard Symbols: |
 F
|
| Risk Codes: | F:; ">  F:; |
| PSA: | 26.30000 |
| LogP: | 1.75140 |
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Specification
The Benzoic acid, 2, 3-difluoro-, methyl ester, with the CAS registry number 18355-74-3, is also known as Methyl-2, 3-difluorbenzolcarboxylat. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C8H6F2O2 and molecular weight is 172.13. What's more, its IUPAC name is Methyl 2,3-difluorobenzoate. In addition, this chemical is highly flammable.
Physical properties about Benzoic acid, 2, 3-difluoro-, methyl ester are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.65; (6)ACD/BCF (pH 7.4): 23.65; (7)ACD/KOC (pH 5.5): 335; (8)ACD/KOC (pH 7.4): 335; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 38.01 cm3; (15)Molar Volume: 135.7 cm3; (16)Polarizability: 15.06×10-24 cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 1.268 g/cm3; (19)Flash Point: 81.5 °C; (20)Enthalpy of Vaporization: 45.11 kJ/mol; (21)Boiling Point: 214.8 °C at 760 mmHg; (22)Vapour Pressure: 0.153 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C(=O)OC)cccc1F
(2) InChI: InChI=1/C8H6F2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
(3) InChIKey: FMTHVBOWAILEFZ-UHFFFAOYAZ