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115549-15-0

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Basic Information
CAS No.: 115549-15-0
Name: 2,4,5-TRIFLUORO-3-NITROBENZOIC ACID
Molecular Structure:
Molecular Structure of 115549-15-0 (2,4,5-TRIFLUORO-3-NITROBENZOIC ACID)
Formula: C7H2F3NO4
Molecular Weight: 221.092
Synonyms: 2,4,5-Trifluoro-3-nitrobenzoicacid;
Density: 1.749 g/cm3
Boiling Point: 355.878 °C at 760 mmHg
Flash Point: 169.029 °C
PSA: 83.12000
LogP: 2.23350
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Specification

The 2,4,5-Trifluoro-3-nitrobenzoic acid ,its cas register number is 115549-15-0.It also can be called as Benzoic acid,2,4,5-trifluoro-3-nitro- and the Systematic name about this chemicals is 2,4,5-Trifluoro-3-nitrobenzoic acid .If you want to store this chemical, please keep containers tightly sealed, and store in cool, dry place in tightly closed containers, also ensure good ventilation/exhaustion at the workplace.Follow are some measures about first aid, after inhalation, supply fresh air, if required,provide artificial respiration and keep patient warm.After skin contact, seek immediate medical advice and instantly wash with water, soap and rinse thoroughly.

Following are the chemical properties about 2,4,5-Trifluoro-3-nitrobenzoic acid :(1)#H bond acceptors: 5 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 83.12Å2 ; (5)Index of Refraction: 1.541 ; (6)Molar Refractivity: 39.71 cm3 ; (7)Molar Volume: 126.434 cm3 ; (8)Polarizability: 15.742x10-24cm3 ; (9)Surface Tension: 56.254 dyne/cm; (10)Enthalpy of Vaporization: 63.426 kJ/mol ; (11)Vapour Pressure: 0 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: Fc1c(N(=O)=O)c(F)c(cc1F)C(O)=O
(2)InChI: InChI=1/C7H2F3NO4/c8-3-1-2(7(12)13)4(9)6(5(3)10)11(14)15/h1H,(H,12,13)
(3)InChIKey: ZFJAWLRXFKLNKV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H2F3NO4/c8-3-1-2(7(12)13)4(9)6(5(3)10)11(14)15/h1H,(H,12,13)
(5)Std. InChIKey: ZFJAWLRXFKLNKV-UHFFFAOYSA-N