Pyrimidine,2-chloro-5-(trifluoromethyl)- supplier

Name
Pyrimidine, 2-chloro-5-(trifluoromethyl)- (9CI)
EINECS
CAS No. 69034-12-4
Article Data10
CAS DataBase
Density 1.504 g/cm³
Solubility
Melting Point 48-52°C
Formula C₅H₂ClF₃N₂
Boiling Point 222.097 °C at 760 mmHg
Molecular Weight 182.532
Flash Point 88.121 °C
Transport Information
Appearance
Safety 26-45
Risk Codes 25-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Chloro-5-(trifluoromethyl)pyrimidine;
PSA 25.78000
LogP 2.14880

Pyrimidine,2-chloro-5-(trifluoromethyl)- Specification

The Pyrimidine,2-chloro-5-(trifluoromethyl)-, with the CAS registry number 69034-12-4. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₅H₂ClF₃N₂ and formula weight is 182.53. What's more, its IUPAC name is 2-chloro-5-(trifluoromethyl)pyrimidine.

Physical properties of Pyrimidine,2-chloro-5-(trifluoromethyl)- are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.876; (4)ACD/BCF (pH 5.5): 2.726; (5)ACD/KOC (pH 5.5): 71.345; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)Polar Surface Area: 25.78 Å²; (9)Index of Refraction: 1.445; (10)Molar Refractivity: 32.31 cm³; (11)Molar Volume: 121.342 cm³; (12)Surface Tension: 32.019 dyne/cm; (13)Density: 1.504 g/cm³; (14)Flash Point: 88.121 °C; (15)Enthalpy of Vaporization: 43.989 kJ/mol; (16)Boiling Point: 222.097 °C at 760 mmHg; (17)Vapour Pressure: 0.154 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=NC(=N1)Cl)C(F)(F)F
(2)InChI: InChI=1S/C5H2ClF3N2/c6-4-10-1-3(2-11-4)5(7,8)9/h1-2H
(3)InChIKey: TYCYTQLXAIDJNF-UHFFFAOYSA-N

Product Name

Pyrimidine, 2-chloro-5-(trifluoromethyl)- (9CI)

Pyrimidine,2-chloro-5-(trifluoromethyl)- Specification

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