4-Amino-6-chloropyrimidine-5-carboxaldehyde supplier

Name
4-AMINO-6-CHLORO-PYRIMIDINE-5-CARBALDEHYDE
EINECS 238-005-7
CAS No. 14160-93-1
Article Data24
CAS DataBase
Density 1.548 g/cm³
Solubility
Melting Point >300 °C
Formula C₅H₄ClN₃O
Boiling Point 355.899 °C at 760 mmHg
Molecular Weight 157.559
Flash Point 169.042 °C
Transport Information
Appearance
Safety 36/37-36/37/39-26
Risk Codes 43-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde;
PSA 68.87000
LogP 1.10590

4-Amino-6-chloropyrimidine-5-carboxaldehyde Specification

The 4-Amino-6-chloropyrimidine-5-carboxaldehyde with cas registry number of 14160-93-1, has the systematic name of 4-amino-6-chloropyrimidine-5-carbaldehyde. And its IUPAC name is the same one. Besides this, it is also called 5-pyrimidinecarboxaldehyde, 4-amino-6-chloro-.

Physical properties about this chemical are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.75; (6)ACD/BCF (pH 7.4): 5.76; (7)ACD/KOC (pH 5.5): 121.8; (8)ACD/KOC (pH 7.4): 121.81; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.09 Å²; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 38.31 cm³; (15)Molar Volume: 101.7 cm³; (16)Polarizability: 15.19×10^-24cm³; (17)Surface Tension: 77.8 dyne/cm; (18)Enthalpy of Vaporization: 60.11 kJ/mol; (19)Vapour Pressure: 3.03E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(Cl)ncnc1N
(2)InChI: InChI=1/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)
(3)InChIKey: GOJNFUXEBVBARW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)
(5)Std. InChIKey: GOJNFUXEBVBARW-UHFFFAOYSA-N

Product Name

4-AMINO-6-CHLORO-PYRIMIDINE-5-CARBALDEHYDE

4-Amino-6-chloropyrimidine-5-carboxaldehyde Specification

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