2-Trifluoromethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine supplier

Name
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
EINECS
CAS No. 905274-04-6
Article Data3
CAS DataBase
Density 1.406g/cm³
Solubility
Melting Point
Formula C₇H₆F₃N₃
Boiling Point 181.247 °C at 760 mmHg
Molecular Weight 189.1378
Flash Point 63.416 °C
Transport Information
Appearance
Safety 26-45
Risk Codes 25-36
Molecular Structure
Hazard Symbols T
Synonyms 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride;2-(trifluoroMethyl)-6;4-d]pyriMidine;7-dihydro-5H-pyrrolo[3;2-(trifluoroMethyl)-5H,6H,7H-pyrrolo[3,4-d]pyriMidine;2-(trifluoroMethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyriMidine dihydrochloride
PSA 37.81000
LogP 1.42740

2-Trifluoromethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine Specification

The 5H-Pyrrolo[3,4-d]pyrimidine,6,7-dihydro-2-(trifluoromethyl)-, with CAS registry number 905274-04-6, belongs to the following product category: Chiral Chemicals. It has the systematic name of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine. And the chemical formula of this chemical is C₇H₆F₃N₃.

Physical properties of 5H-Pyrrolo[3,4-d]pyrimidine,6,7-dihydro-2-(trifluoromethyl)-: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.969; (4)ACD/LogD (pH 7.4): 1.008; (5)ACD/BCF (pH 5.5): 3.139; (6)ACD/BCF (pH 7.4): 3.437; (7)ACD/KOC (pH 5.5): 76.899; (8)ACD/KOC (pH 7.4): 84.186; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.81 Å²; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 38.326 cm³; (15)Molar Volume: 134.516 cm³; (16)Polarizability: 15.194×10^-24cm³; (17)Surface Tension: 37.006 dyne/cm; (18)Density: 1.406 g/cm³; (19)Flash Point: 63.416 °C; (20)Enthalpy of Vaporization: 41.751 kJ/mol; (21)Boiling Point: 181.247 °C at 760 mmHg; (22)Vapour Pressure: 0.86 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(nc(n1)C(F)(F)F)CNC2
(2)InChI: InChI=1/C7H6F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h2,11H,1,3H2
(3)InChIKey: WAXINHRGKZWFCJ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H6F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h2,11H,1,3H2
(5)Std. InChIKey: WAXINHRGKZWFCJ-UHFFFAOYSA-N

Product Name

2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-Trifluoromethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine Specification

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