CAS No.362601-90-9,METHYL 2,5-DIFLUOROBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	362601-90-9
Name:	METHYL 2,5-DIFLUOROBENZOATE

Formula:	C₈H₆F₂O₂
Molecular Weight:	172.13
Synonyms:	2,5-Difluorobenzoicacid methyl ester;
Density:	1.268 g/cm³
Boiling Point:	212.1 °C at 760 mmHg
Flash Point:	80 °C
Hazard Symbols:	Xn, Xi
Risk Codes:	22-37/38-41
Safety:	26-36/37/39
PSA:	26.30000
LogP:	1.75140

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Specification

The Benzoic acid, 2, 5-difluoro-, methyl ester, with the CAS registry number 362601-90-9, is also known as 2, 5-Difluorobenzoic acid methyl ester. It belongs to the product categories of Aromatic Esters; C8 to C9; Carbonyl Compounds; Esters. This chemical's molecular formula is C₈H₆F₂O₂ and molecular weight is 172.13. What's more, its IUPAC name is Methyl 2, 5-difluorobenzoate.

Physical properties about Benzoic acid, 2, 5-difluoro-, methyl ester are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.17; (6)ACD/BCF (pH 7.4): 31.17; (7)ACD/KOC (pH 5.5): 408.16; (8)ACD/KOC (pH 7.4): 408.16; (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: 80 °C; (20)Enthalpy of Vaporization: 44.84 kJ/mol; (21)Boiling Point: 212.1 °C at 760 mmHg; (22)Vapour Pressure: 0.177 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system and skin. And it has risk of serious damage to eyes. In addition, this chemical is harmful if swallowed. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of 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)ccc1F
(2) InChI: InChI=1/C8H6F2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
(3) InChIKey: UDBLTZWJCWPYBA-UHFFFAOYAF