CAS No.345-29-9,4-FLUORO-2-HYDROXYBENZOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	345-29-9
Name:	4-FLUORO-2-HYDROXYBENZOIC ACID
Article Data:	23

Formula:	C₇H₅FO₃
Molecular Weight:	156.113
Synonyms:	4-Fluorosalicylic acid;Salicylicacid, 4-fluoro- (7CI,8CI);4-Fluoro-2-hydroxybenzoic acid;4-Fluorosalicylicacid;NSC 109099;-fluorosalicyclic acid;
EINECS:	206-459-5
Density:	1.492 g/cm³
Melting Point:	170 °C (dec.)(lit.)
Boiling Point:	300.5 °C at 760 mmHg
Flash Point:	135.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	57.53000
LogP:	1.22950

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Specification

The Benzoic acid,4-fluoro-2-hydroxy-, with the CAS registry number 345-29-9 and EINECS registry number 206-459-5, has the systematic name and IUPAC name of 4-fluoro-2-hydroxybenzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Acids & Esters; Fluorine Compounds; Phenols; C7; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of the chemical is C₇H₅FO₃.

The characteristics of Benzoic acid,4-fluoro-2-hydroxy- are as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 35.05 cm³; (15)Molar Volume: 104.6 cm³; (16)Polarizability: 13.89×10^-24cm³; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.492 g/cm³; (19)Flash Point: 135.6 °C; (20)nthalpy of Vaporization: 57.09 kJ/mol; (21)Boiling Point: 300.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000496 mmHg at 25°C.

Uses of Benzoic acid,4-fluoro-2-hydroxy-: It can react with sulfuric acid dimethyl ester to produce 4-fluoro-2-methoxy-benzoic acid methyl ester. This reaction will need reagent K₂CO₃, and the menstruum acetone. The reaction time is 2 hours with heating, and the yield is about 75%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccc(F)cc1O
(2)InChI: InChI=1/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
(3)InChIKey: TTZOLDXHOCCNMF-UHFFFAOYAE