2,5-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde supplier

Name
2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde
EINECS
CAS No. 932226-24-9
Article Data4
CAS DataBase
Density 1.207 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂F₃NO
Boiling Point 354.556 °C at 760 mmHg
Molecular Weight 267.251
Flash Point 168.23 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde;
PSA 22.00000
LogP 3.92540

2,5-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde Specification

The systematic name of 2,5-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde is 2,5-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde. With the CAS registry number 932226-24-9, it is also named as 1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-. In addition, its molecular formula is C₁₄H₁₂F₃NO and its molecular weight is 267.25.

The other characteristics of 2,5-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde can be summarized as: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 638; (6)ACD/BCF (pH 7.4): 638; (7)ACD/KOC (pH 5.5): 3544; (8)ACD/KOC (pH 7.4): 3544; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 66.549 cm³; (15)Molar Volume: 221.402 cm³; (16)Polarizability: 26.382×10^-24cm³; (17)Surface Tension: 31.728 dyne/cm; (18)Density: 1.207 g/cm³; (19)Flash Point: 168.23 °C; (20)Enthalpy of Vaporization: 59.961 kJ/mol; (21)Boiling Point: 354.556 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)c1ccccc1n2c(C)c(cc2C)C=O
(2)InChI:InChI=1/C14H12F3NO/c1-9-7-11(8-19)10(2)18(9)13-6-4-3-5-12(13)14(15,16)17/h3-8H,1-2H3
(3)InChIKey:BPGJTHYIJWQASI-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C14H12F3NO/c1-9-7-11(8-19)10(2)18(9)13-6-4-3-5-12(13)14(15,16)17/h3-8H,1-2H3
(5)Std. InChIKey:BPGJTHYIJWQASI-UHFFFAOYSA-N

Product Name

2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde

2,5-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde Specification

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