The Benzoicacid, 3-chloro-, with the CAS registry number 535-80-8, is also known as m-Chlorobenzoic acid. It belongs to the product categories of Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organics; Nitrile; Organic acids; C7; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 208-618-4. This chemical's molecular formula is C₇H₅ClO₂ and molecular weight is 156.57. What's more, its systematic name is 3-chlorobenzoic acid. Its classification code is Drug / Therapeutic Agent. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire. It is incompatible with strong oxidizing agents. It is used as an intermediate for the synthesis of organic compounds including pharmaceuticals and dyes.

Physical properties of Benzoicacid, 3-chloro- are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 2.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.59; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 38.07 cm³; (15)Molar Volume: 113.9 cm³; (16)Polarizability: 15.09×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.374 g/cm³; (19)Flash Point: 123.9 °C; (20)Enthalpy of Vaporization: 54.93 kJ/mol; (21)Boiling Point: 281.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00171 mmHg at 25°C.

Preparation of Benzoicacid, 3-chloro-: this chemical can be prepared by 3-chloro-benzaldehyde by heating. This reaction will need reagents 30% H₂O₂, SeO₂ and solvent tetrahydrofuran with the reaction time of 6 hours. The yield is about 93%.

Uses of Benzoicacid, 3-chloro-: it can be used to produce 3-chloro-benzoic acid phenacyl ester by heating. It will need reagents Na₂CO₃, H₂O and solvent ethanol with the reaction time of 2 hours. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(Cl)ccc1
(2)Std. InChI: InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
(3)Std. InChIKey: LULAYUGMBFYYEX-UHFFFAOYSA-N

The toxicity data is as follows: