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CAS No.: | 330-48-3 |
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Name: | N-(3,4-difluorophenyl)-3,4-difluoro-aniline |
Molecular Structure: | |
Formula: | C12H7F4N |
Molecular Weight: | 241.188 |
Synonyms: | NSC 403038;N-(3,4-Difluorophenyl)-3,4-difluoroaniline; |
Density: | 1.399 g/cm3 |
Boiling Point: | 267.3 °C at 760 mmHg |
Flash Point: | 115.4 °C |
PSA: | 12.03000 |
LogP: | 4.05960 |
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The Benzenamine,N-(3,4-difluorophenyl)-3,4-difluoro- has the CAS registry number 330-48-3. This chemical's molecular formula is C12H7F4N and molecular weight is 241.18. What's more, its systematic name is N-(3,4-difluorophenyl)-3,4-difluoroaniline.
Physical properties of Benzenamine,N-(3,4-difluorophenyl)-3,4-difluoro- are: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 55.6 cm3; (9)Molar Volume: 172.3 cm3; (10)Polarizability: 22.04×10-24cm3; (11)Surface Tension: 38.4 dyne/cm; (12)Density: 1.399 g/cm3; (13)Flash Point: 115.4 °C; (14)Enthalpy of Vaporization: 50.53 kJ/mol; (15)Boiling Point: 267.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00824 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1NC2=CC(=C(C=C2)F)F)F)F
(2)InChI: InChI=1S/C12H7F4N/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6,17H
(3)InChIKey: ZRJAVMVAQXIURD-UHFFFAOYSA-N