Benzoic acid, 2-chloro-5-fluoro-, methyl ester supplier

Name
Methyl 2-chloro-5-fluorobenzoate
EINECS
CAS No. 647020-63-1
Density 1.314 g/cm³
Solubility
Melting Point
Formula C₈H₆ClFO₂
Boiling Point 235.9 °C at 760 mmHg
Molecular Weight 188.586
Flash Point 100.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-chloro-5-fluorobenzoate;
PSA 26.30000
LogP 2.26570

Benzoic acid, 2-chloro-5-fluoro-, methyl ester Specification

The Benzoic acid, 2-chloro-5-fluoro-, methyl ester, with the CAS registry number 647020-63-1, is also known as Methyl 2-chloro-5-fluorobenzoate. It belongs to the product categories of Blocks; Carboxes; FluoroCompounds. This chemical's molecular formula is C₈H₆ClFO₂ and molecular weight is 188.58. What's more, its systematic name is also called Benzoic acid, 2-chloro-5-fluoro-, methyl ester.

Physical properties about Benzoic acid, 2-chloro-5-fluoro-, methyl ester are: (1)ACD/LogP: 2.68; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 64.51; (6)ACD/BCF (pH 7.4): 64.51; (7)ACD/KOC (pH 5.5): 686.99; (8)ACD/KOC (pH 7.4): 686.99; (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: 1.51; (14)Molar Refractivity: 42.91 cm³; (15)Molar Volume: 143.4 cm³; (16)Polarizability: 17.01×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.314 g/cm³; (19)Flash Point: 100.9 °C; (20)Enthalpy of Vaporization: 47.26 kJ/mol; (21)Boiling Point: 235.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0489 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)c1cc(ccc1Cl)F
(2) InChI: InChI=1/C8H6ClFO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3
(3) InChIKey: NRKMNOPYHIGOKT-UHFFFAOYAX

Product Name

Methyl 2-chloro-5-fluorobenzoate

Benzoic acid, 2-chloro-5-fluoro-, methyl ester Specification

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