Methyl 5-amino-2,4-difluorobenzoate supplier

Name
Methyl 5-amino-2,4-difluorobenzoate
EINECS
CAS No. 125568-73-2
Article Data6
CAS DataBase
Density 1.355 g/cm³
Solubility
Melting Point
Formula C₈H₇F₂NO₂
Boiling Point 284.049 °C at 760 mmHg
Molecular Weight 187.146
Flash Point 125.589 °C
Transport Information
Appearance Reddish brown viscous liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-2,4-difluoro-benzoic acid methyl ester;
PSA 52.32000
LogP 1.91480

Methyl 5-amino-2,4-difluorobenzoate Specification

The Methyl 5-amino-2,4-difluorobenzoate, with the CAS registry number 125568-73-2, is also known as Benzoic acid, 5-amino-2,4-difluoro-, methyl ester. It belongs to the product category of Aminoacid. This chemical's molecular formula is C₈H₇F₂NO₂ and molecular weight is 187.14. Its systematic name is called methyl 5-amino-2,4-difluorobenzoate.

Physical properties of Methyl 5-amino-2,4-difluorobenzoate: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 126; (8)ACD/KOC (pH 7.4): 126; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 42.25 cm³; (14)Molar Volume: 138.026 cm³; (15)Surface Tension: 42.398 dyne/cm; (16)Density: 1.356 g/cm³; (17)Flash Point: 125.589 °C; (18)Enthalpy of Vaporization: 52.301 kJ/mol; (19)Boiling Point: 284.049 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)c(N)cc1C(=O)OC
(2)InChI: InChI=1/C8H7F2NO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3
(3)InChIKey: HHAREYZKVHGBEP-UHFFFAOYAX

Product Name

Methyl 5-amino-2,4-difluorobenzoate

Methyl 5-amino-2,4-difluorobenzoate Specification

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