-
Name
5,6-Difluoroindoline
- EINECS
- CAS No. 954255-04-0
- Article Data2
- CAS DataBase
- Density 1.261 g/cm3
- Solubility
- Melting Point
- Formula C8H7F2N
- Boiling Point 207 °C at 760 mmHg
- Molecular Weight 155.147
- Flash Point 79 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1H-indole, 5,6-difluoro-2,3-dihydro-;MFCD01075221;
- PSA 12.03000
- LogP 2.07080
5,6-Difluoroindoline Specification
This product is an organic compound with the formula C8H7F2N. The systematic name of this chemical is 5,6-Difluoroindoline. With the CAS registry number 954255-04-0, it is also named as 1H-indole, 5,6-difluoro-2,3-dihydro-. In addition, the molecular weight is 155.14.
Physical properties of 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid,10-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]- are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.47; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.03 Å2; (9)Index of Refraction: 1.516; (10)Molar Refractivity: 37.15 cm3; (11)Molar Volume: 122.9 cm3; (12)Polarizability: 14.72×10-24cm3; (13)Surface Tension: 35.6 dyne/cm; (14)Density: 1.261 g/cm3; (15)Flash Point: 79 °C; (16)Enthalpy of Vaporization: 44.33 kJ/mol; (17)Boiling Point: 207 °C at 760 mmHg; (18)Vapour Pressure: 0.23 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(cc(c1F)F)NCC2
(2)Std. InChI: InChI=1S/C8H7F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4,11H,1-2H2
(3)Std. InChIKey: UTLQGTYJQQKXMQ-UHFFFAOYSA-N
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