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Substance Name: Trimellitic acid
RN: 528-44-9
UNII: 7NVY29MQ5F
InChIKey: ARCGXLSVLAOJQL-UHFFFAOYSA-N

Molecular Formula

  • C9-H6-O6

Molecular Weight

  • 210.14
 
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Names and Synonyms

Name of Substance

  • Trimellitic acid

Synonyms

  • 1,2,4-Tricarboxybenzene
  • 1,3,4-Benzenetricarboxylic acid
  • 1,4,5-Benzenetricarboxylic acid
  • 4-09-00-03746 (Beilstein Handbook Reference)
  • 4-Carboxyphthalic acid
  • BRN 2214815
  • EINECS 208-432-3
  • NSC 72986
  • Trimellitic acid
  • UNII-7NVY29MQ5F

Systematic Name

  • 1,2,4-Benzenetricarboxylic acid

Superlist Name

  • 1,2,4-Benzenetricarboxylic acid

Registry Numbers

CAS Registry Number

  • 528-44-9

FDA UNII

  • 7NVY29MQ5F

Related Registry Number

  • 67801-57-4 (cobalt(+2)[1:1] salt)

System Generated Number

  • 0000528449

Structure Descriptors

InChI

1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)

InChIKey

ARCGXLSVLAOJQL-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C(O)=O)C(O)=O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(7), Pg. 57, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 219 deg C   EXP
pKa Dissociation Constant 2.52 (none)   EXP
log P (octanol-water) 0.950 (none)   EST
Water Solubility 2.10E+04 mg/L 25 EXP
Vapor Pressure 2.88E-08 mm Hg 25 EST
Henry's Law Constant 4.39E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.63E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.