Ethanone,1-(4-amino-3,5-difluorophenyl)- supplier

Name
4-AMINO-3,5-DIFLUOROACETOPHENONE
EINECS
CAS No. 811799-69-6
Article Data4
CAS DataBase
Density 1.299 g/cm³
Solubility
Melting Point
Formula C₈H₇F₂NO
Boiling Point 270.6 °C at 760 mmHg
Molecular Weight 171.146
Flash Point 117.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Amino-3,5-difluorophenyl)ethanone;4'-amino-3',5'-difluoroacetophenone;
PSA 43.09000
LogP 2.33080

Ethanone,1-(4-amino-3,5-difluorophenyl)- Specification

The Ethanone,1-(4-amino-3,5-difluorophenyl)-, with the CAS registry number 811799-69-6, is also known as 4'-Amino-3',5'-difluoroacetophenone. This chemical's molecular formula is C₈H₇F₂NO and molecular weight is 171.14. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Amino-3,5-difluorophenyl)ethanone.

Physical properties about Ethanone,1-(4-amino-3,5-difluorophenyl)-: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 4.99; (6)ACD/BCF (pH 7.4): 4.99; (7)ACD/KOC (pH 5.5): 109.93; (8)ACD/KOC (pH 7.4): 109.93; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 40.5 cm³; (15)Molar Volume: 131.6 cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Density: 1.299 g/cm³; (18)Flash Point: 117.4 °C; (19)Enthalpy of Vaporization: 50.87 kJ/mol; (20)Boiling Point: 270.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00679 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(cc(F)c1N)C(C)=O
(2) InChI: InChI=1/C8H7F2NO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3
(3) InChIKey: MLPXEMBDRBECQR-UHFFFAOYAR

Product Name

4-AMINO-3,5-DIFLUOROACETOPHENONE

Ethanone,1-(4-amino-3,5-difluorophenyl)- Specification

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