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Basic Information
CAS No.: 5305-59-9
Name: 4-Amino-6-chloropyrimidine
Article Data: 25
Molecular Structure:
Molecular Structure of 5305-59-9 (4-Amino-6-chloropyrimidine)
Formula: C4H4ClN3
Molecular Weight: 129.549
Synonyms: 6-Chloropyrimidin-4-amine;6-Chloro-pyrimidin-4-ylamine;6-Chloropyrimidin-4-ylamine;6-Chloro-4-aminopyrimidine;
EINECS: 664-284-3
Density: 1.437 g/cm3
Melting Point: 215-216 °C
Boiling Point: 289 °C at 760 mmHg
Flash Point: 128.6 °C
Appearance: pale yellow solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 51.80000
LogP: 1.29340
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Chemistry

Molecular Structure of 4-Amino-6-chloropyrimidine (CAS NO.5305-59-9):

IUPAC Name: 6-Chloropyrimidin-4-amine
Canonical SMILES: C1=C(N=CN=C1Cl)N
InChI: InChI=1S/C4H4ClN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
InChIKey: DUKKRSPKJMHASP-UHFFFAOYSA-N
Molecular Weight: 129.54766 [g/mol]
Molecular Formula: C4H4ClN3
XLogP3-AA: 0.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Appearance: Pale Yellow Solid
Melting Point: 215-216 °C
Index of Refraction: 1.617
Molar Refractivity: 31.56 cm3
Molar Volume: 90.1 cm3
Surface Tension: 66.4 dyne/cm
Density: 1.437 g/cm3
Flash Point: 128.6 °C
Enthalpy of Vaporization: 52.82 kJ/mol
Boiling Point: 289 °C at 760 mmHg
Vapour Pressure: 0.00227 mmHg at 25 °C
Product Categories: PYRIMIDINE; Amines and Anilines; Heterocycles; Nucleotides and Nucleosides; Pyrimidines; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Bases & Related Reagents; Nucleotides

Safety Profile

Safety Information of 4-Amino-6-chloropyrimidine (CAS NO.5305-59-9):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
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.
Hazard Note: Harmful
HazardClass: IRRITANT

Specification

  4-Amino-6-chloropyrimidine (CAS NO.5305-59-9), its Synonyms are 6-Chloro-4-pyrimidinamine ; 6-Chloropyrimidine-4-amine ; 4-Pyrimidinamine, 6-chloro- (9CI) ; 6-Chloro-pyrimidin-4-ylamine .