CAS No.391-92-4,METHYL 5-FLUORO-2-HYDROXYBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	391-92-4
Name:	METHYL 5-FLUORO-2-HYDROXYBENZOATE
Article Data:	22

Formula:	C₈H₇FO₃
Molecular Weight:	294.71
Synonyms:	Salicylicacid, 5-fluoro-, methyl ester (7CI,8CI);Methyl 5-fluoro-2-hydroxybenzoate;Methyl 5-fluorosalicylate;
Density:	1.309g/cm³
Melting Point:	30-34°C
Boiling Point:	239.1 °C at 760 mmHg
Flash Point:	98.4 °C
Appearance:	Pale yellow low melting solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.53000
LogP:	1.31790

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Specification

The Benzoic acid,5-fluoro-2-hydroxy-, methyl ester, with CAS registry number 391-92-4, belongs to the following product categories: (1)Benzoic acid; (2)C8 to C9; (3)Carbonyl Compounds; (4)Esters. It has the systematic name of methyl 5-fluoro-2-hydroxybenzoate. This chemical is a kind of pale yellow low melting solid. And the chemical formula of this chemical is C₈H₇FO₃.

Physical properties of Benzoic acid,5-fluoro-2-hydroxy-, methyl ester: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 69.14; (6)ACD/BCF (pH 7.4): 68.85; (7)ACD/KOC (pH 5.5): 721.92; (8)ACD/KOC (pH 7.4): 718.86; (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: 1.526; (14)Molar Refractivity: 39.9 cm³; (15)Molar Volume: 129.9 cm³; (16)Polarizability: 15.81×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 98.4 °C; (20)Enthalpy of Vaporization: 49.53 kJ/mol; (21)Boiling Point: 239.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0265 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,5-fluoro-2-hydroxy-, methyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(F)ccc1O
(2)InChI: InChI=1/C8H7FO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
(3)InChIKey: DGHBWVVOJLVMFF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H7FO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
(5)Std. InChIKey: DGHBWVVOJLVMFF-UHFFFAOYSA-N