3-Amino-4-fluorobenzoic acid supplier

Name
3-Amino-4-fluorobenzoic acid
EINECS 219-122-2
CAS No. 2365-85-7
Article Data11
CAS DataBase
Density 1.43 g/cm³
Solubility
Melting Point 184 °C
Formula C₇H₆FNO₂
Boiling Point 335.5 °C at 760 mmHg
Molecular Weight 155.129
Flash Point 156.7 °C
Transport Information
Appearance Off-White crystalline solid
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Fluoro-3-aminobenzoic acid;NSC 127014;NSC127014;AC1Q4NFE;AC1L2OO6;AC1Q511Z;Jsp004736;
PSA 63.32000
LogP 1.68730

3-Amino-4-fluorobenzoic acid Specification

The 3-Amino-4-fluorobenzoic acid with CAS registry number of 2365-85-7 is also known as 4-Fluoro-3-aminobenzoic acid. The IUPAC name and product name are the same. It belongs to product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid Series. Its EINECS registry number is 219-122-2. In addition, the formula is C₇H₆FNO₂ and the molecular weight is 155.13.

Physical properties about 3-Amino-4-fluorobenzoic acid are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): -1.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.68; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 37.41 cm³; (14)Molar Volume: 108.4 cm³; (15)Surface Tension: 60.4 dyne/cm; (16)Density: 1.43 g/cm³; (17)Flash Point: 156.7 °C; (18)Enthalpy of Vaporization: 61.07 kJ/mol; (19)Boiling Point: 335.5 °C at 760 mmHg; (20)Vapour Pressure: 4.69E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1C(=O)O)N)F
2. InChI: InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
3. InChIKey: WFSPEVFSRUTRCN-UHFFFAOYSA-N

Product Name

3-Amino-4-fluorobenzoic acid

3-Amino-4-fluorobenzoic acid Specification

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