2-CHLORO-3,6-DIFLUOROBENZOIC ACID

The Benzoic acid,2-chloro-3,6-difluoro-, with the CAS registry number 287172-74-1, belongs to the product category of Benzoic acid. This chemical's molecular formula is C₇H₃ClF₂O₂ and formula weight is 192.55. What's more, its IUPAC name is 2-chloro-3,6-difluorobenzoic acid. It should be sealed and stored in ventilated, cool and dry places and be protected from strong oxidizers.

Physical properties of Benzoic acid,2-chloro-3,6-difluoro- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 38.06 cm³; (13)Molar Volume: 122.3 cm³; (14)Surface Tension: 46.5 dyne/cm; (15)Density: 1.573 g/cm³; (16)Flash Point: 115 °C; (17)Enthalpy of Vaporization: 53.3 kJ/mol; (18)Boiling Point: 266.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00427 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. 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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1F)C(=O)O)Cl)F
(2)InChI: InChI=1S/C7H3ClF2O2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,(H,11,12)
(3)InChIKey: COWJYTLVSFKOPM-UHFFFAOYSA-N