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CAS No.: | 6344-63-4 |
---|---|
Name: | 1-AMINOFLUORENE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C13H11N |
Molecular Weight: | 181.237 |
Synonyms: | Fluoren-1-amine(7CI,8CI);1-Aminofluorene;NSC 51312; |
Density: | 1.203 g/cm3 |
Melting Point: | 125-126 °C(lit.) |
Boiling Point: | 358.3 °C at 760 mmHg |
Flash Point: | 188.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 26.02000 |
LogP: | 3.42120 |
This chemical is called 9H-Fluoren-1-amine, and its systematic name is 9H-fluoren-1-amine. With the molecular formula of C13H11N, its molecular weight is 181.23. With the CAS registry number of 6344-63-4, its classification code is Mutation data. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 84.58; (6)ACD/BCF (pH 7.4): 91.11; (7)ACD/KOC (pH 5.5): 816.29; (8)ACD/KOC (pH 7.4): 879.31; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 58.03 cm3; (15)Molar Volume: 150.6 cm3; (16)Polarizability: 23×10-24 cm3; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.203 g/cm3; (19)Flash Point: 188.8 °C; (20)Enthalpy of Vaporization: 60.38 kJ/mol; (21)Boiling Point: 358.3 °C at 760 mmHg; (22)Vapour Pressure: 2.56E-05 mmHg at 25 °C.
Production method of this chemical: The 9H-Fluoren-1-amine could be obtained by the reactant of 1-Nitrofluorene. This reaction needs the reagents of Sm and I2, and the solvent of methanol. The yield is 95 %. In addition, this reaction should be taken for 7 hours at the condition of heating.
Uses of this chemical: The 9H-Fluoren-1-amine could react with 4-octyloxy-benzaldehyde, and obtain the 1-[p-(octyloxy)benzylideneamino]fluorene. This reaction needs the reagent of AcOH, and the solvent of ethanol. The yield is 73 %. In addition, this reaction should be taken for 10 minutes at the condition of heating.
When you are using this chemical, please be cautious about it as the following:This chemical is irritating to eyes, respiratory system, and skin, what's more, it's harmful by inhalation, so you should wear suitable protective clothing iwhen you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: c32c(c1cccc(c1C2)N)cccc3
2.InChI: InChI=1/C13H11N/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8,14H2
3.InChIKey: CYSPWCARDHRYJX-UHFFFAOYAM
4.Std. InChI: InChI=1S/C13H11N/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8,14H2
5.Std. InChIKey: CYSPWCARDHRYJX-UHFFFAOYSA-N