-
Name
2-Pyrimidineacetic acid
- EINECS
- CAS No. 66621-73-6
- Density 1.336 g/cm3
- Solubility
- Melting Point
- Formula C6H6N2O2
- Boiling Point 287.5 °C at 760 mmHg
- Molecular Weight 138.126
- Flash Point 127.7 °C
- Transport Information
- Appearance
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms 2-PYRIMIDINEACETIC ACID;2-Pyrimidineacetic acid (9CI);2-Pyrimidineacetate;2-(pyrimidin-2-yl)acetic acid;2-PyriMidineacetic acid sodiuM salt
- PSA 63.08000
- LogP 0.10370
2-Pyrimidineacetic acid Chemical Properties
Molecule structure of 2-Pyrimidineacetic acid (CAS NO.66621-73-6):
IUPAC Name: 2-Pyrimidin-2-ylacetic acid
Molecular Weight: 138.12404 g/mol
Molecular Formula: C6H6N2O2
Density: 1.336 g/cm3
Flash Point: 127.7 °C
Enthalpy of Vaporization: 55.63 kJ/mol
Boiling Point: 287.5 °C at 760 mmHg
Index of Refraction: 1.562
Molar Refractivity: 33.54 cm3
Molar Volume: 103.3 cm3
Polarizability: 13.29×10-24 cm3
Surface Tension: 65.5 dyne/cm
Vapour Pressure: 0.00115 mmHg at 25 °C
XLogP3-AA: -0.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 138.042927
MonoIsotopic Mass: 138.042927
Topological Polar Surface Area: 63.1
Heavy Atom Count: 10
Complexity: 121 Canonical SMILES: C1=CN=C(N=C1)CC(=O)O
InChI: InChI=1S/C6H6N2O2/c9-6(10)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,10)
InChIKey: NRRCYZPJUABYHL-UHFFFAOYSA-N
Product Categories of 2-Pyrimidineacetic acid (CAS NO.66621-73-6): PYRIMIDINE;API intermediates
2-Pyrimidineacetic acid Safety Profile
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
2-Pyrimidineacetic acid Specification
2-Pyrimidineacetic acid (CAS NO.66621-73-6) is also named as Pyrimidin-2-ylacetic acid ; 2-(pyrimidin-2-yl)acetic acid ; 2-Pyrimidine Acetic Acid ; Pyrimidin-4-yl-carboxylic acid .
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