Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Nitro-4-trifluoromethylbenzoic acid

Related Products

Hot Products

Name

2-Nitro-4-trifluoromethylbenzoic acid

EINECS N/A
CAS No. 320-94-5 Density 1.596 g/cm3
PSA 83.12000 LogP 2.83500
Solubility N/A Melting Point 134-138 °C
Formula C8H4F3NO4 Boiling Point 306.6 °C at 760 mmHg
Molecular Weight 235.119 Flash Point 139.2 °C
Transport Information N/A Appearance Yellowish crystal
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 320-94-5 (2-Nitro-4-trifluoromethylbenzoic acid) Hazard Symbols IrritantXi
Synonyms

p-Toluicacid, a,a,a-trifluoro-2-nitro- (7CI,8CI);2-Nitro-4-(trifluoromethyl)benzoic acid;4-(Trifluoromethyl)-2-nitrobenzoic acid;a,a,a-Trifluoro-2-nitro-p-toluic acid;

Article Data 10

2-Nitro-4-trifluoromethylbenzoic acid Specification

The IUPAC name of this chemical is 2-nitro-4-(trifluoromethyl)benzoate. With the CAS registry number 320-94-5, it is also named as Benzoic acid, 2-nitro-4-(trifluoromethyl)-. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid.

The other characteristics of 2-Nitro-4-trifluoromethylbenzoic acid can be summarized as: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): -0.29; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.518; (13)Molar Refractivity: 44.7 cm3; (14)Molar Volume: 147.3 cm3; (15)Polarizability: 17.72×10-24 cm3; (16)Surface Tension: 45.2 dyne/cm; (17)Enthalpy of Vaporization: 57.77 kJ/mol; (18)Vapour Pressure: 0.000333 mmHg at 25°C; (19)Exact Mass: 234.001417; (20)MonoIsotopic Mass: 234.001417; (21)Topological Polar Surface Area: 86; (22)Heavy Atom Count: 16; (23)Formal Charge: -1; (24)Complexity: 293.

Uses of 2-Nitro-4-trifluoromethylbenzoic acid: It is used to produce 2-amino-4-trifluoromethyl-benzoic acid. This reaction needs reagent iron-powder and aqueous NH4Cl.

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, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:FC(F)(F)c1ccc(c([N+]([O-])=O)c1)C(=O)O
2. InChI:InChI=1/C8H4F3NO4/c9-8(10,11)4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14) 
3. InChIKey:MYSAXQPTXWKDPQ-UHFFFAOYAV

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 320-94-5