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1005-38-5

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Basic Information
CAS No.: 1005-38-5
Name: 4-Amino-6-chloro-2-(methylthio)pyrimidine
Article Data: 17
Molecular Structure:
Molecular Structure of 1005-38-5 (4-Amino-6-chloro-2-(methylthio)pyrimidine)
Formula: C5H6 Cl N3 S
Molecular Weight: 175.642
Synonyms: Pyrimidine,4-amino-6-chloro-2-(methylthio)- (6CI,7CI,8CI);(6-Chloro-2-methylsulfanylpyrimidin-4-yl)amine; 4-Amino-6-chloro-2-methylsulfanylpyrimidine;4-Amino-6-chloro-2-methylthiopyrimidine;6-Amino-4-chloro-2-(methylsulfanyl)pyrimidine;6-Chloro-2-(methylthio)pyrimidin-4-amine;6-Chloro-2-methylthiopyrimidin-4-ylamine; NSC 19859; U 8342
EINECS: 213-734-3
Density: 1.45g/cm3
Melting Point: 130-134 ºC
Boiling Point: 338.7°Cat760mmHg
Flash Point: 158.6°C
Appearance: off-white to beige or yellow crystalline powder
Hazard Symbols:
Risk Codes: R36/37/38   
Safety:
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 37/39-26
WGK Germany 3
PSA: 77.10000
LogP: 2.01530
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Chemistry

Product Name: 4-Amino-6-chloro-2-(methylthio)pyrimidine (CAS NO.1005-38-5)

Molecular Formula: C5H6ClN3S
Molecular Weight: 175.64g/mol
Mol File: 1005-38-5.mol
EINECS: 213-734-3
Appearance: off-white to beige or yellow crystalline powder
Melting Point: 130-132 °C(lit.)
Index of Refraction: 1.639 
Molar Refractivity: 43.43 cm3 
Molar Volume: 120.7 cm3  
Surface Tension: 72.5 dyne/cm 
Density: 1.45 g/cm3 
Flash Point: 158.6 °C 
Enthalpy of Vaporization: 58.21 kJ/mol 
Boiling Point: 338.7 °C at 760 mmHg 
Vapour Pressure: 9.64E-05 mmHg at 25°C
XLogP3-AA: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 4-Amino-6-chloro-2-(methylthio)pyrimidine (CAS NO.1005-38-5):
  IUPAC Name: 6-chloro-2-methylsulfanylpyrimidin-4-amine
  Canonical SMILES: CSC1=NC(=CC(=N1)Cl)N
  InChI: InChI=1S/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9) 
  InChIKey: ISUXMAHVLFRZQU-UHFFFAOYSA-N
Product Categories: Sulphur Derivatives; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; PyrimidinesHeterocyclic Building Blocks

Safety Profile

Safety Information of 4-Amino-6-chloro-2-(methylthio)pyrimidine (CAS NO.1005-38-5):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

Specification

 4-Amino-6-chloro-2-(methylthio)pyrimidine , its CAS NO. is 1005-38-5, the synonyms are 4-Amino-6-chloro-2-methylmercaptopyrimidine ; 6-Chloro-2-(methylthio)pyrimidin-4-amine .