6-Amino-5-chloro-4-pyrimidinecarboxylic acid supplier

Name
6-aMino-5-chloropyriMidine-4-carboxylic acid
EINECS
CAS No. 914916-98-6
Density 1.7±0.1 g/cm³
Solubility
Melting Point
Formula C₅H₄ClN₃O₂
Boiling Point 414.6±45.0 °C at 760 mmHg
Molecular Weight 173.559
Flash Point 204.5±28.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Amino-5-chloropyrimidine-4-carboxylic acid;
PSA 89.83000
LogP 0.34050

6-Amino-5-chloro-4-pyrimidinecarboxylic acid Specification

The 6-Amino-5-chloro-4-pyrimidinecarboxylic acid, with the CAS registry number 914916-98-6, is also known as 6-Amino-5-chloropyrimidine-4-carboxylic acid. This chemical's molecular formula is C₅H₄ClN₃O₂ and molecular weight is 173.56. What's more, its systematic name is 6-Amino-5-chloro-4-pyrimidinecarboxylic acid.

Physical properties of 6-Amino-5-chloro-4-pyrimidinecarboxylic acid are: (1)ACD/LogP: 1.46±0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.49; (4)ACD/LogD (pH 7.4): -1.69; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 89.1 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 38.5±0.3 cm³; (15)Molar Volume: 102.6±3.0 cm³; (16)Polarizability: 15.3±0.5×10^-24cm³; (17)Surface Tension: 93.8±3.0 dyne/cm; (18)Density: 1.7±0.1 g/cm³; (19)Flash Point: 204.5±28.7 °C; (20)Enthalpy of Vaporization: 70.4±3.0 kJ/mol; (21)Boiling Point: 414.6±45.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1nc(c(c(n1)N)Cl)C(=O)O
(2)Std. InChI: InChI=1S/C5H4ClN3O2/c6-2-3(5(10)11)8-1-9-4(2)7/h1H,(H,10,11)(H2,7,8,9)
(3)Std. InChIKey: XIEDAMQXYCHOHG-UHFFFAOYSA-N

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Product Name

6-aMino-5-chloropyriMidine-4-carboxylic acid

6-Amino-5-chloro-4-pyrimidinecarboxylic acid Specification

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