Terephthalic Acid

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Catalog Number
ACM-MO-100210
Product Name
Terephthalic Acid
Structure
Structure
CAS
100-21-0
Category
Polymer/Macromolecule
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.
Synonyms
p-Phthalic Acid;
Benzene-1,4-dicarboxylic Acid
IUPAC Name
terephthalic acid
Molecular Weight
166.13 g/mol
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
402 °C (dec.)
Flash Point
260ºC
Density
1.51
Solubility
Soluble in dimethylformamide.
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%
Autoignition Temperature
925 °F
Color/Form
Needles;White crystals or powder
Complexity
169
Condition To Avoid
Air Sensitive,Heat Sensitive
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes.
Degree of solubility in water
2.8 g/l 20 °C
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 Codes
Xi
Hazard Statements
H320 : Causes eye irritation.H372 : Causes damage to organs through prolonged or repeated exposure.H335 : May cause respiratory irritation.
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
12
HS Code
2917361100
ICSC Number
0330
LogP
1.08300
MDL Number
MFCD00002558
Monoisotopic Mass
166.026609g/mol
NACRES
NA.23
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
Physical State
Solid
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.
PSA
74.6
PubChem ID
24850686
Quality Level
100
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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