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Terephthalic Acid

Catalog Number
ACM100210-1
CAS Number
100-21-0
Product Name
Terephthalic Acid
Structure
Category
Hydrogen Storage Materials; Metal Organic Frameworks (MOFs); Monomers
Synonyms
TEREPHTHALIC ACID FOR SYNTHESIS;Terephthalic acid;Terephthalicacid;TEREPHTHALIC ACID/BENZENE-1,4-DICARBOXYLIC ACID;p-Phthalic acid
Description
Terephthalic acid (a portmanteau of the turpentine producing tree terebinthus, and phthalic acid) is the organic compound with formula C6H4(CO2H)2. This White solid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles. Several million tonnes are produced annually.
IUPAC Name
terephthalic acid
Molecular Weight
166.13
Molecular Formula
C8H6O4
Canonical SMILES
OC(=O)c1ccc(cc1)C(O)=O
InChI
1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI Key
KKEYFWRCBNTPAC-UHFFFAOYSA-N
Boiling Point
greater than 572 °F at 760 mm Hg (sublimes without melting) (NTP, 1992);>572°F (sublimes)
Melting Point
300ºC
Flash Point
260ºC
Purity
99%
Density
1.51
Solubility
Insoluble (NTP, 1992);9.03e-05 M;Insoluble in chloroform, ether, acetic acid; slightly soluble in alcohol; soluble in alkalies;Solubilities at 25 °C (g/100 g solvent): water = 0.0017, glacial acetic acid = 0.013, methanol = 0.1, dimethylformamide = 6.7, dimethyl sulfoxide = 19.0;In water, 15 mg/L at 20 °C;0.015 mg/mL at 20 °C;Solubility in water, g/100ml at 20 °C: 0.28
Appearance
White to Almost white powder to crystal
Application
Terephthalic acid (TPA) can be synthesized from bio-based materials for a variety of s, which include the production of polyester fiber, non-fiber field, PET bottles, synthetic perfumes and medicines.
Terephthalic acid is used as a linker molecule in the preparation of metal organic frameworks (MOFs).
Storage
Store under inert gas, 2-8°C
Assay
98%
Color/Form
Needles;White crystals or powder
Complexity
169
Covalently-Bonded Unit Count
1
EC Number
202-830-0
Exact Mass
166.026609g/mol
Features And Benefits
1. High quality products
2. Fast delivery
3. Additional products can be ordered, please contact us for details
Form
powder
Formal Charge
0
Hazard Statements
H320 : Causes eye irritation.H372 : Causes damage to organs through prolonged or repeated exposure.H335 : May cause respiratory irritation.
Heavy Atom Count
12
ICSC Number
0330
Log P
1.08300
MDL Number
MFCD00002558
MeSH Entry Terms
disodium terephthalate;terephthalate;terephthalic acid
Monoisotopic Mass
166.026609g/mol
NSC Number
36973
Other Experimental
Sublimes at 402 °C;Vapor pressure: 1.3 kPa at 303 °C; 13.3 kPa at 353 °C; 26.7 kPa at 370 °C; 53.3 kPa at 387 °C; 101.3 kPa at 404 °C;Vapor pressure = 0.097 kPa at 250 °C;Henry's Law constant = 3.9X10-13 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.2X10-12 cu cm/molec-sec at 25 °C (est)
Packaging
Packaging
5, 100, 500 g in poly bottle
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P314 : Get medical advice/ attention if you feel unwell.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.
Refractive Index
1.648
Rotatable Bond Count
2
RTECS Number
WZ0875000
Signal Word
Danger
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Conditions
0-6ºC
UNII
6S7NKZ40BQ
Vapor Pressure
<0.01 mm Hg ( 20 °C)
WGK Germany
3
XLogP3
2
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