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Basic Information
CAS No.: 7461-50-9
Name: 4-Amino-2-chloropyrimidine
Article Data: 14
Molecular Structure:
Molecular Structure of 7461-50-9 (4-Amino-2-chloropyrimidine)
Formula: C4H4ClN3
Molecular Weight: 129.549
Synonyms: Pyrimidine, 4-amino-2-chloro- (7CI,8CI);2-Chloro-4-aminopyrimidine;2-Chloro-4-pyrimidinamine;2-Chloropyrimidin-4-ylamine;NSC 403512;
Density: 1.438 g/cm3
Melting Point: 197-205 °C
Boiling Point: 338.8 °C at 760 mmHg
Flash Point: 158.7 °C
Appearance: Colorless to slight yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 51.80000
LogP: 1.29340
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  • 4-Amino-2-chloropyrimidine CAS No.7461-50-9

  • Casno:

    7461-50-9

    4-Amino-2-chloropyrimidine CAS No.7461-50-9

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Chemistry

IUPAC Name: 2-Chloropyrimidin-4-amine 
Following is the structure of 4-Amino-2-chloropyrimidine (CAS NO.7461-50-9):
                       
Empirical Formula: C4H4ClN3
Molecular Weight: 129.5477 
Index of Refraction: 1.617
Molar Refractivity: 31.56 cm3
Molar Volume: 90.1 cm3
Density: 1.437 g/cm3
Flash Point: 158.7 °C
Melting point: 197-205 °C
Surface Tension: 66.4 dyne/cm
Enthalpy of Vaporization: 58.22 kJ/mol
Boiling Point: 338.8 °C at 760 mmHg
Vapour Pressure of 4-Amino-2-chloropyrimidine (CAS NO.7461-50-9): 9.59E-05 mmHg at 25 °C 
Product Categories of 4-Amino-2-chloropyrimidine (CAS NO.7461-50-9): PYRIMIDINE; Pyridines, Pyrimidines, Purines and Pteredines; pharmacetical; Pyrimidine Derivertives; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; PyrimidinesHeterocyclic Building Blocks
Canonical SMILES: C1=CN=C(N=C1N)Cl
InChI: InChI=1S/C4H4ClN3/c5-4-7-2-1-3(6)8-4/h1-2H,(H2,6,7,8)
InChIKey: LPBDZVNGCNTELM-UHFFFAOYSA-N

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 36/37/38-36-22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R36:Irritating to eyes. 
R22:Harmful if swallowed.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
HazardClass: IRRITANT-HARMFUL

Specification

 4-Amino-2-chloropyrimidine , its cas register number 7461-50-9. It also can be called 2-Chloro-4-aminopyrimidine .