CAS No.403-46-3,4-FLUORO-N,N-DIMETHYLANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	403-46-3
Name:	4-FLUORO-N,N-DIMETHYLANILINE
Article Data:	61

Formula:	C₈H₁₀FN
Molecular Weight:	139.173
Synonyms:	Aniline,p-fluoro-N,N-dimethyl- (6CI,7CI,8CI);4-(Dimethylamino)fluorobenzene;4-Fluoro-N,N-dimethylaniline;N,N-Dimethyl-4-fluoroaniline;p-Fluoro-N,N-dimethylaniline;p-N,N-Dimethylaminofluorobenzene;
Density:	1.057 g/cm³
Melting Point:	36 °C
Boiling Point:	188.1 °C at 760 mmHg
Flash Point:	67.5 °C
Hazard Symbols:	Xi,Xn
Risk Codes:	R36/37/38; R20/21/22
PSA:	3.24000
LogP:	1.89170

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Specification

The CAS register number of N,N-Dimethyl-4-fluoroaniline is 403-46-3. It also can be called as Benzenamine,4-fluoro-N,N-dimethyl- and the IUPAC name about this chemical is 4-fluoro-N,N-dimethylaniline. The molecular formula about this chemical is C₈H₁₀FN and the molecular weight is 139.17.

Physical properties about N,N-Dimethyl-4-fluoroaniline are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.24; (3)ACD/LogD (pH 7.4): 2.41; (4)ACD/BCF (pH 5.5): 26.97; (5)ACD/BCF (pH 7.4): 39.98; (6)ACD/KOC (pH 5.5): 328.39; (7)ACD/KOC (pH 7.4): 486.95; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 3.24Å²; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 40.56 cm³; (13)Molar Volume: 131.6 cm³; (14)Polarizability: 16.07x10^-24cm³; (15)Surface Tension: 33.3 dyne/cm; (16)Enthalpy of Vaporization: 42.43 kJ/mol; (17)Boiling Point: 188.1 °C at 760 mmHg; (18)Vapour Pressure: 0.611 mmHg at 25°C.

Preparation: this chemical can be prepared by N-methyl-4-fluoroformanilide. This reaction will need reagent LiAlH₄ and solvent diethyl ether. The yield is about 91%.

Uses of N,N-Dimethyl-4-fluoroaniline: it can be used to produce 4-Fluoro-N,N-dimethylaniline N-oxide at ambient temperature. This reaction will need reagent 30percent aq. H₂O₂, catalyst CH₃ReO₃ and solvent methanol. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(N(C)C)cc1
(2)InChI: InChI=1/C8H10FN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
(3)InChIKey: YJEHCGOJNJUOII-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H10FN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
(5)Std. InChIKey: YJEHCGOJNJUOII-UHFFFAOYSA-N