CAS
216956-20-6 Purity
96%
216956-20-6 Purity
96%
![1,3-Benzenedicarboxamide,n1,n3-bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-5-methoxy-](https://resource.alfa-chemistry.com/structure/21695-94-3.gif)
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4-(Pyrimidin-5-yl)benzoic acid
CAS
216959-91-0
Catalog Number
ACM216959910-2
Category
Other Products
Molecular Weight
200.19
Molecular Formula
C11H8N2O2
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Specification
Synonyms
HPBA
IUPAC Name
4-pyrimidin-5-ylbenzoic acid
Canonical SMILES
C1=CC(=CC=C1C2=CN=CN=C2)C(=O)O
InChI
InChI=1S/C11H8N2O2/c14-11(15)9-3-1-8(2-4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)
InChI Key
CCBKADQVSXLSDN-UHFFFAOYSA-N
Boiling Point
419.5 ºC at 760 mmHg
Melting Point
316-317 ºC
Flash Point
207.5 ºC
Density
1.302 g/cm³
Complexity
219
CompoundIs Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
200.058577502g/mol
Formal Charge
0
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
200.058577502g/mol
Rotatable Bond Count
2
Safety Description
S22-S26-S36/37/39
Topological Polar Surface Area
63.1Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.4
June 16, 2023
Bright dye
Some textiles or papers dyed by 4-(pyrimidin-5-yl)benzoic acid can show bright colors and good stability.
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