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CAS No.: | 18238-55-6 |
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Name: | 7,7-Difluorobicyclo[4.1.0]hepta-1(6),2,4-triene |
Molecular Structure: | |
Formula: | C7H4F2 |
Molecular Weight: | 126.1035 |
Synonyms: | 1,3,5-Norcaratriene,7,7-difluoro- (8CI);1,1-Difluorobenzocyclopropene;1,1-Difluorocyclopropabenzene;7,7-Difluoro-1,3,5-norcaratriene;7,7-Difluorobenzocyclopropene;7,7-Difluorocyclopropabenzene; |
Density: | 1.28 g/cm3 |
Boiling Point: | 98.8 °C at 760 mmHg |
Flash Point: | 6.5 °C |
PSA: | 0.00000 |
LogP: | 2.14010 |
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The Bicyclo[4.1.0]hepta-1,3,5-triene,7,7-difluoro-, with the CAS registry number 18238-55-6, is also known as 1,1-Difluoro-cyclopropabenzene. This chemical's molecular formula is C7H4F2 and molecular weight is 126.1035. What's more, both its IUPAC name and systematic name are the same which is called 7,7-Difluorobicyclo[4.1.0]hepta-1,3,5-triene.
Physical properties about Bicyclo[4.1.0]hepta-1,3,5-triene,7,7-difluoro- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.11; (6)ACD/BCF (pH 7.4): 7.11; (7)ACD/KOC (pH 5.5): 141.7; (8)ACD/KOC (pH 7.4): 141.7; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 29.57 cm3; (15)Molar Volume: 97.8 cm3; (16)Polarizability: 11.72×10-24 cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 6.5 °C; (20)Enthalpy of Vaporization: 32.42 kJ/mol; (21)Boiling Point: 98.8 °C at 760 mmHg; (22)Vapour Pressure: 45.2 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC2(F)c1ccccc12
(2) InChI: InChI=1/C7H4F2/c8-7(9)5-3-1-2-4-6(5)7/h1-4H
(3) InChIKey: QQESEAYTNOTARV-UHFFFAOYAA