Benzoic acid,3-amino-5-fluoro-4-methyl- supplier

Name
3-AMINO-5-FLUORO-4-METHYLBENZOIC ACID
EINECS
CAS No. 103877-75-4
Article Data2
CAS DataBase
Density 1.356 g/cm³
Solubility
Melting Point
Formula C₈H₈FNO₂
Boiling Point 365 °C at 760 mmHg
Molecular Weight 169.15
Flash Point 174.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-5-fluoro-4-methylbenzoic acid;5-Amino-3-fluoro-4-methylbenzoic acid;
PSA 63.32000
LogP 1.99570

Benzoic acid,3-amino-5-fluoro-4-methyl- Specification

The Benzoic acid,3-amino-5-fluoro-4-methyl-, with the CAS registry number 103877-75-4, is also known as 5-Amino-3-fluoro-4-methylbenzoic acid. It belongs to the product category of Phenylacetic acid. This chemical's molecular formula is C₈H₈FNO₂ and molecular weight is 169.15. What's more, its systematic name is 3-Amino-5-fluoro-4-methylbenzoic acid.

Physical properties of Benzoic acid,3-amino-5-fluoro-4-methyl- are: (1)ACD/LogP: 1 .91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.92; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.32 Å²; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 42.23 cm³; (14)Molar Volume: 124.7 cm³; (15)Polarizability: 16.74×10^-24 cm³; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.356 g/cm³; (18)Flash Point: 174.5 °C; (19)Enthalpy of Vaporization: 64.49 kJ/mol; (20)Boiling Point: 365 °C at 760 mmHg; (21)Vapour Pressure: 5.74E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(N)c1C)C(O)=O
(2)InChI: InChI=1/C8H8FNO2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,10H2,1H3,(H,11,12)
(3)InChIKey: AGSFFMYPNCKQCN-UHFFFAOYAM

Product Name

3-AMINO-5-FLUORO-4-METHYLBENZOIC ACID

Benzoic acid,3-amino-5-fluoro-4-methyl- Specification

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