4-Amino-3-fluorobenzoic acid supplier

Name
4-Amino-3-fluorobenzoic acid
EINECS 207-250-1
CAS No. 455-87-8
Article Data7
CAS DataBase
Density 1.43 g/cm³
Solubility
Melting Point 215-218 °C
Formula C₇H₆FNO₂
Boiling Point 320.8 °C at 760 mmHg
Molecular Weight 155.129
Flash Point 147.8 °C
Transport Information
Appearance Fine Needles
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoic acid, 4-amino-3-fluoro-;
PSA 63.32000
LogP 1.68730

4-Amino-3-fluorobenzoic acid Specification

This chemical is called 4-Amino-3-fluorobenzoic acid, and it can also be named as Benzoic acid, 4-amino-3-fluoro-. With the CAS registry number of 455-87-8, its product categories are Amines; Blocks; Carboxes; Fluoro Compounds; Aromatic Carboxylic Acids, Amides, Anhydrides & Salts; Benzoic Acid; Aromatics Compounds; Aromatics. Additionally, this chemical should be sealed in the dry and ventilated place.

Other characteristics of the 4-Amino-3-fluorobenzoic acid can be summarised as followings: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): -1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.17; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 37.41 cm³; (15)Molar Volume: 108.4 cm³; (16)Polarizability: 14.83×10^-24cm³; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.43 g/cm³; (19)Flash Point: 147.8 °C; (20)Enthalpy of Vaporization: 59.38 kJ/mol; (21)Boiling Point: 320.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000129 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(C(=O)O)ccc1N
2.InChI: InChI=1/C7H6FNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)
3.InChIKey: JSKXHTHMCCDEGD-UHFFFAOYAQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03056,

Product Name

4-Amino-3-fluorobenzoic acid

4-Amino-3-fluorobenzoic acid Specification

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