-
Name
2,6-difluoro-4-methoxyphenylacetic acid
- EINECS
- CAS No. 886498-98-2
- Article Data2
- CAS DataBase
- Density 1.354 g/cm3
- Solubility
- Melting Point 138-141℃
- Formula C9H8F2O3
- Boiling Point 269.4 °C at 760 mmHg
- Molecular Weight 202.158
- Flash Point 116.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-(2,6-difluoro-4-Methoxyphenyl)acetic acid;2,6-Didifluoro-4-Methoxyphenylacetic acid
- PSA 46.53000
- LogP 1.60050
2,6-Difluoro-4-methoxyphenylacetic acid Specification
The Benzeneacetic acid,2,6-difluoro-4-methoxy-, with CAS registry number 886498-98-2, has the systematic name of (2,6-difluoro-4-methoxyphenyl)acetic acid. Its molecular weight is 202.15. And the chemical formula of this chemical is C9H8F2O3.
Physical properties of Benzeneacetic acid,2,6-difluoro-4-methoxy-: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 44.03 cm3; (15)Molar Volume: 149.2 cm3; (16)Polarizability: 17.45×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 116.7 °C; (20)Enthalpy of Vaporization: 53.62 kJ/mol; (21)Boiling Point: 269.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00358 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)cc(OC)c1)CC(=O)O
(2)InChI: InChI=1/C9H8F2O3/c1-14-5-2-7(10)6(4-9(12)13)8(11)3-5/h2-3H,4H2,1H3,(H,12,13)
(3)InChIKey: KXWRAINJKJTUDG-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H8F2O3/c1-14-5-2-7(10)6(4-9(12)13)8(11)3-5/h2-3H,4H2,1H3,(H,12,13)
(5)Std. InChIKey: KXWRAINJKJTUDG-UHFFFAOYSA-N
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