| Identification | More | [Name]
2,5-Difluoroaniline | [CAS]
367-30-6 | [Synonyms]
2,5-DIFLUOROANILINE
2,5-DIFLUOROBENZENAMINE
Aniline, 2,5-difluoro-
2,5-Difluoroaniline,98%
Difluoroaniline3
2,5-DIFLUOROANILINE, 99.5%
2,5-Difluoroaniline 98%
Benzenamine, 2,5-difluoro- | [EINECS(EC#)]
206-690-1 | [Molecular Formula]
C6H5F2N | [MDL Number]
MFCD00007651 | [Molecular Weight]
129.11 | [MOL File]
367-30-6.mol |
| Chemical Properties | Back Directory | [Appearance]
clear brown liquid | [Melting point ]
11-13 °C (lit.) | [Boiling point ]
176-178 °C (lit.) | [density ]
1.288 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.513(lit.)
| [Fp ]
156 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
clear liquid | [pka]
2.19±0.10(Predicted) | [color ]
Colorless to Yellow to Orange | [Specific Gravity]
1.29 | [Water Solubility ]
Not miscible in water. | [Detection Methods]
HPLC | [BRN ]
2802549 | [InChI]
InChI=1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2 | [InChIKey]
YNOOQIUSYGWMSS-UHFFFAOYSA-N | [SMILES]
C1(N)=CC(F)=CC=C1F | [CAS DataBase Reference]
367-30-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenamine, 2,5-difluoro-(367-30-6) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
2941 | [WGK Germany ]
3
| [F ]
8-10-23 | [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214210 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Skin Sens. 1 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Nitric acid-->Iron-->1,4-Difluorobenzene-->2,5-Difluoronitrobenzene | [Preparation Products]
4-Bromo-2,5-difluorobenzenesulfonyl chloride-->2,5-Difluoronitrobenzene-->2,5-Difluorophenol-->4-Bromo-2,5-difluoroiodobenzene-->4,7-Difluoroisatin-->2,5-Difluoroiodobenzene-->2,5-Difluorophenylene-1,4-diamine, 1,4-Diamino-2,5-difluorobenzene-->ethyl 2-(2,5-difluoroanilino)-2-oxoacetate-->5-Bromo-4,7-difluoro-1H-indazole-3-carboxylic acid-->N-(2,5-Difluoro-phenyl)-forMaMide |
| Hazard Information | Back Directory | [Chemical Properties]
clear brown liquid | [Uses]
2,5-Difluoroaniline was used in the synthesis of 2,4-di-tert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol. It was also used in ultrasound-assisted preparation of 1,4-diazabutadienes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff. | [Synthesis]
General procedure for the synthesis of 2,5-difluoroaniline from 2,5-difluoronitrobenzene: To a solution of 1,4-difluoro-2-nitrobenzene (500 mg, 3.14 mmol) in methanol (20 mL) was added palladium/carbon catalyst (66.9 mg, 0.629 mmol) in batches. Subsequently, the reaction mixture was stirred at 20 °C for 1 h under hydrogen atmosphere. The reaction progress was monitored by thin layer chromatography (TLC, petroleum ether/ethyl acetate = 3/1) and after confirming the complete consumption of raw materials, the reaction mixture was filtered. The filtrate was concentrated to afford the target product 2,5-difluoroaniline (338 mg, 2.61 mmol, 83% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 6.94-6.88 (m, 1H), 6.50-6.46 (m, 1H), 6.40-6.31 (m, 1H), 3.82 (br.s., 2H). | [References]
[1] Patent: US2014/275111, 2014, A1. Location in patent: Paragraph 0485; 0486
[2] Patent: WO2014/141187, 2014, A1. Location in patent: Page/Page column 109
[3] Recueil des Travaux Chimiques des Pays-Bas, 1914, vol. 33, p. 299
[4] Chem. Zentralbl., 1914, vol. 85, # II, p. 320
[5] Journal fuer Praktische Chemie (Leipzig), 1934, vol. <2> 140, p. 97,111 |
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