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

5-tert-Butylisophthalic acid

Related Products

Hot Products

Name

5-tert-Butylisophthalic acid

EINECS 219-100-2
CAS No. 2359-09-3 Density 1.226 g/cm3
PSA 74.60000 LogP 2.38050
Solubility N/A Melting Point >300 °C(lit.)
Formula C12H14O4 Boiling Point 400 °C at 760 mmHg
Molecular Weight 222.241 Flash Point 209.8 °C
Transport Information N/A Appearance white to very slightly yellow fine cryst. powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2359-09-3 (5-TERT-BUTYLISOPHTHALIC ACID) Hazard Symbols IrritantXi
Synonyms

Isophthalicacid, 5-tert-butyl- (6CI,7CI,8CI);5-(1,1-Dimethylethyl)-1,3-benzenedicarboxylic acid;5-tert-Butyl-1,3-benzenedicarboxylicacid;5-tert-Butylisophthalic acid;

Article Data 9

5-tert-Butylisophthalic acid Specification

The 5-tert-Butylisophthalic acid is an organic compound with the formula C12H14O4. The IUPAC name of this chemical is 5-tert-butylbenzene-1,3-dicarboxylic acid. With the CAS registry number 2359-09-3, it is also named as Isophthalic acid, 5-tert-butyl-. The product's categories are Phthalic Acids, Esters and Derivatives; Carboxylic Acid Monomers; Monomers; Polymer Science. It is white to very slightly yellow fine cryst. powder.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.18; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 58.5 cm3; (14)Molar Volume: 181.1 cm3; (15)Polarizability: 23.19×10-24 cm3; (16)Surface Tension: 49 dy; (17)Enthalpy of Vaporization: 68.63 kJ/mol; (18)Vapour Pressure: 4.09E-07 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 222.089209; (21)MonoIsotopic Mass: 222.089209; (22)Topological Polar Surface Area: 74.6; (23)Heavy Atom Count: 16; (24)Complexity: 268.

Uses of 5-tert-Butylisophthalic acid: It can react with ethane-1,2-diamine to get 1,3-Bis(4,5-dihydro-1H-imidazol-2-yl)-5-tert-butylbenzene. This reaction needs reagent H2NCH2CH2NH2*2HCl, p-TsOH and solvent bis-(2-hydroxy-ethyl) ether by heating. The reaction time is 3 hours. The yield is 63%.

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:O=C(O)c1cc(cc(C(=O)O)c1)C(C)(C)C
2. InChI:InChI=1/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16) 
3. InChIKey:BJLUCDZIWWSFIB-UHFFFAOYAU

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 2359-09-3