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Benzene,4-fluoro-2-methoxy-1-methyl-

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Name

Benzene,4-fluoro-2-methoxy-1-methyl-

EINECS N/A
CAS No. 95729-22-9 Density 1.046 g/cm3
PSA 9.23000 LogP 2.14270
Solubility N/A Melting Point N/A
Formula C8H9FO Boiling Point 153.2 °C at 760 mmHg
Molecular Weight 140.157 Flash Point 50.2 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 95729-22-9 (5-FLUORO-2-METHYLANISOLE) Hazard Symbols Xi
Synonyms

5-Fluoro-2-methylanisole;

Article Data 2

Benzene,4-fluoro-2-methoxy-1-methyl- Specification

The Benzene,4-fluoro-2-methoxy-1-methyl-, with its CAS registry number 95729-22-9, has the systematic name of 4-fluoro-2-methoxy-1-methylbenzene. And it has the molecular formula of C8H9FO, and it belongs to the product categories which include Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. In addition, being stable in normal temperature and pressure, it should be kept sealed in the cool, dry and well-ventilated place, away from the strong oxidizer.

The characteristics of Benzene,4-fluoro-2-methoxy-1-methyl- are as follows: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 65.85; (6)ACD/BCF (pH 7.4): 65.85; (7)ACD/KOC (pH 5.5): 697.14; (8)ACD/KOC (pH 7.4): 697.14; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 37.75 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 14.96×10-24cm3; (17)Surface Tension: 28.2 dyne/cm; (18)Density: 1.046 g/cm3; (19)Flash Point: 50.2 °C; (20)Enthalpy of Vaporization: 37.39 kJ/mol; (21)Boiling Point: 153.2 °C at 760 mmHg; (22)Vapour Pressure: 4.32 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, this is may cause inflammation to the skin or other mucous. Therefore, you should wear suitable gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Fc1cc(OC)c(cc1)C
(2)InChI:InChI=1/C8H9FO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
(3)InChIKey:CXTIUQIZWCABPV-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C8H9FO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
(5)Std. InChIKey:CXTIUQIZWCABPV-UHFFFAOYSA-N

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