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4-Nitro-2-(trifluoromethyl)benzoic acid

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Name

4-Nitro-2-(trifluoromethyl)benzoic acid

EINECS N/A
CAS No. 320-37-6 Density 1.596 g/cm3
PSA 83.12000 LogP 2.83500
Solubility N/A Melting Point 138-142 °C(lit.)
Formula C8H4F3NO4 Boiling Point 321.4 °C at 760 mmHg
Molecular Weight 235.119 Flash Point 148.2 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36 Risk Codes 22-36-43
Molecular Structure Molecular Structure of 320-37-6 (4-NITRO-2-(TRIFLUOROMETHYL)BENZOIC ACID&) Hazard Symbols HarmfulXn
Synonyms

o-Toluicacid, a,a,a-trifluoro-4-nitro- (7CI,8CI);4-Nitro-2-trifluoromethylbenzoic acid;

 

4-Nitro-2-(trifluoromethyl)benzoic acid Specification

The CAS register number of Benzoic acid,4-nitro-2-(trifluoromethyl)- is 320-37-6. The systematic name about this chemical is 4-nitro-2-(trifluoromethyl)benzoic acid. The molecular formula about this chemical is C8H4F3NO4 and the molecular weight is 235.12. It belongs to the following product categories which include Benzoic acid; C8; Carbonyl Compounds; Carboxylic Acids and so on.

Physical properties about Benzoic acid,4-nitro-2-(trifluoromethyl)- are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 0.14; (3)ACD/LogD (pH 7.4): -0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.46; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 72.12Å2; (12)Index of Refraction: 1.518; (13)Molar Refractivity: 44.7 cm3; (14)Molar Volume: 147.3 cm3; (15)Polarizability: 17.72x10-24cm3; (16)Surface Tension: 45.2 dyne/cm; (17)Enthalpy of Vaporization: 59.45 kJ/mol; (18)Boiling Point: 321.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000124 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed.It is irritating to eyes. It may cause sensitization by skin contact. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1C(=O)O)[N+]([O-])=O
(2)InChI: InChI=1/C8H4F3NO4/c9-8(10,11)6-3-4(12(15)16)1-2-5(6)7(13)14/h1-3H,(H,13,14)
(3)InChIKey: BPCKZQCTLCTDST-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H4F3NO4/c9-8(10,11)6-3-4(12(15)16)1-2-5(6)7(13)14/h1-3H,(H,13,14)
(5)Std. InChIKey: BPCKZQCTLCTDST-UHFFFAOYSA-N

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