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2-Fluoro-5-aminotoluene

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Name

2-Fluoro-5-aminotoluene

EINECS 207-207-7
CAS No. 452-69-7 Density 1.115 g/cm3
PSA 26.02000 LogP 2.29750
Solubility N/A Melting Point 35 ºC
Formula C7H8FN Boiling Point 207.6 ºC at 760 mmHg
Molecular Weight 125.146 Flash Point 89.7 ºC
Transport Information UN 2811 Appearance N/A
Safety 26-36/37/39-27 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 452-69-7 (2-Fluoro-5-aminotoluene) Hazard Symbols IrritantXi,ToxicT
Synonyms

m-Toluidine,4-fluoro- (6CI,8CI);(4-Fluoro-3-methylphenyl)amine;4-Fluoro-3-methylaniline;4-Fluoro-3-methylbenzenamine;5-Amino-2-fluorotoluene;NSC 88319;

Article Data 13

2-Fluoro-5-aminotoluene Specification

The 4-Fluoro-3-methylaniline, with the CAS registry number 452-69-7, is also known as 4-Fluoro-3-methylaniline. It belongs to the product categories of Fluorin-Contained Toluene Series; Fluorobenzene; Aromatic Hydrocarbons (substituted) & Derivatives; Anilines, Aromatic Amines and Nitro Compounds; Aniline; Miscellaneous. Its EINECS registry number is 207-207-7. This chemical's molecular formula is C7H8FN and molecular weight is 125.14. What's more, its IUPAC name is the same with its product name. It should be kept in a cold, sealed and dry place.

Physical properties about 4-Fluoro-3-methylaniline are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 8.28; (6)ACD/BCF (pH 7.4): 9.83; (7)ACD/KOC (pH 5.5): 150.46; (8)ACD/KOC (pH 7.4): 178.59; (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: 1.541; (14)Molar Refractivity: 35.3 cm3; (15)Molar Volume: 112.1 cm3; (16)Surface Tension: 37.6 dyne/cm; (17)Density: 1.115 g/cm3; (18)Flash Point: 89.7 °C; (19)Enthalpy of Vaporization: 44.38 kJ/mol; (20)Boiling Point: 207.6 °C at 760 mmHg; (21)Vapour Pressure: 0.224 mmHg at 25 °C.

Preparation of 4-Fluoro-3-methylaniline: this chemical can be prepared by 1-Methyl-3-nitro-benzene. This reaction needs reagents HF, Pb. The yield is 44 %.

4-Fluoro-3-methylaniline can be prepared by 1-Methyl-3-nitro-benzene.

Uses of 4-Fluoro-3-methylaniline: it is used to produce other chemicals. For example, it can react with Ethoxymethylene-malonic acid diethyl ester to get 2-[(4-Fluoro-3-methyl-phenylamino)-methylene]-malonic acid diethyl ester. The reaction occurs with the temperature of 110-120 ºC. The yield is 91 %.

4-Fluoro-3-methylaniline can react with Ethoxymethylene-malonic acid diethyl ester to get 2-[(4-Fluoro-3-methyl-phenylamino)-methylene]-malonic acid diethyl ester.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. Therefore, you could take off immediately all contaminated clothing. And you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cc(N)cc1)C
(2) InChI: InChI=1S/C7H8FN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
(3) InChIKey: NYMDPDNETOLVBS-UHFFFAOYSA-N

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