Basic information
- Name:
2,4-Dichloro-5-trifluoromethylpyrimidine
- CAS No.:
3932-97-6
- Molecular Structure:
- Formula:
- C5HCl2F3N2
- Molecular Weight:
- 216.98
- Synonyms:
- 2,6-Dichloro-5-trifluoromethylpyrimidine;5-Trifluoromethyl-2,4-dichloropyrimidine;
- Density:
- 1.627 g/cm3
- Boiling Point:
- 230.1 °C at 760 mmHg
- Flash Point:
- 93 °C
- Hazard Symbols:
Xi, 
C, 
T- Risk Codes:
- 36/37/38-36-25
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 2810
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Chemistry
Product Name: 2,4-Dichloro-5-trifluoromethylpyrimidine (CAS NO.3932-97-6)
Molecular Formula: C5HCl2F3N2
Molecular Weight: 216.98g/mol
Mol File: 3932-97-6.mol
Boiling point: 230.1 °C at 760 mmHg
Flash Point: 93 °C
Density: 1.627 g/cm3
Index of Refraction: 1.47
Molar Refractivity: 37.2 cm3
Molar Volume: 133.2 cm3
Surface Tension: 35.1 dyne/cm
Enthalpy of Vaporization: 44.78 kJ/mol
Vapour Pressure: 0.101 mmHg at 25°C
XLogP3-AA: 3
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of 2,4-Dichloro-5-trifluoromethylpyrimidine (CAS NO.3932-97-6):
IUPAC Name: 2,4-dichloro-5-(trifluoromethyl)pyrimidine
Canonical SMILES: C1=C(C(=NC(=N1)Cl)Cl)C(F)(F)F
InChI: InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H
InChIKey: IDRUEHMBFUJKAK-UHFFFAOYSA-N
Product Categories: pharmacetical; Pyrimidine; Building Blocks; Halogenated; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines
Safety Profile
Safety Information of 2,4-Dichloro-5-trifluoromethylpyrimidine (CAS NO.3932-97-6):
Hazard Codes: Xi
,C
,T
Risk Statements: 36/37/38-36-25
R36/37/38:Irritating to eyes, respiratory system and skin.
R36:Irritating to eyes.
R25 :Toxic if swallowed.
Safety Statements: 26-36/37/39-45
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.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2810
Hazard Note: Irritant
HazardClass: CORROSIVE
Specification
2,4-Dichloro-5-trifluoromethylpyrimidine , its CAS NO. is 3932-97-6, the synonyms are 5-Trifluoromethyl-2,4-dichloropyrimidine ; 2,4-Dichloro-5-(trifluoromethyl)pyrimidine .
