| Identification | More | [Name]
2,2-Difluoro-5-aminobenzodioxole | [CAS]
1544-85-0 | [Synonyms]
2,2-DIFLUORO-5-AMINO-1,3-BENZODIOXOLE
2,2-DIFLUORO-5-AMINOBENZODIOXOLE
2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YLAMINE
5-AMINO-2,2-DIFLUORO-1,3-BENZODIOXOLE
5-AMINO-2,2-DIFLUOROBENZODIOXOLE
IFLAB-BB F2108-0168
3,4-[(Difluoromethylene)dioxy]aniline
5-Amino-2,2-difluoro-1,3-benzodioxole, 97+%
2,2-Difluoro-5-aminobenzodioxole 98%
2,2-Difluoro-5-aminobenzodioxole98%
2,2-DIFLUORO-1,3-BENZODIOXOL-5-AMINE
2,2-Difluoro-1,3-benzodioxol-5-ylamine
2,2-difluorobenzo[d][1,3]dioxol-5-amine | [EINECS(EC#)]
639-983-1 | [Molecular Formula]
C7H5F2NO2 | [MDL Number]
MFCD00190144 | [Molecular Weight]
173.12 | [MOL File]
1544-85-0.mol |
| Chemical Properties | Back Directory | [Boiling point ]
95-97°C 12mm | [density ]
1.51±0.1 g/cm3(Predicted) | [refractive index ]
1.498 | [Fp ]
95-97°C/12mm | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [form ]
clear liquid | [pka]
4.18±0.40(Predicted) | [color ]
Colorless to Brown | [Water Solubility ]
Not miscible or difficult to mix in water. | [Sensitive ]
Light Sensitive | [BRN ]
1343593 | [InChI]
InChI=1S/C7H5F2NO2/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3H,10H2 | [InChIKey]
CVYQRDKVWVBOFP-UHFFFAOYSA-N | [SMILES]
O1C2=CC=C(N)C=C2OC1(F)F | [CAS DataBase Reference]
1544-85-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T,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 ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
2811 | [WGK Germany ]
3 | [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2932990090 |
| Hazard Information | Back Directory | [Uses]
5-Amino-2,2-difluoro-1,3-benzodioxole is used as a pharmaceutical intermediate. | [Synthesis]
Under nitrogen atmosphere, 2,2-difluoro-5-nitro-1,3-benzodioxolane (69.1, 0.5 g, 2.46 mmol, 1.0 eq.) was dissolved in methanol (3.0 mL) and this solution was added to a 10% palladium/carbon (0.05 g) suspension in methanol (5.0 mL). Subsequently, the reaction system was purged with hydrogen for 2 hours. Upon completion of the reaction, the reaction mixture was filtered through diatomaceous earth and washed with methanol. The collected filtrate was concentrated under reduced pressure to give the crude product. The crude product was purified by n-hexane milling to finally give 2,2-difluorobenzo[d][1,3]dioxolan-5-amine (69.2, 0.31 g, 72.5% yield). Mass spectrum (electrospray ionization): m/z 173.12 [M + H]+. | [References]
[1] Journal of Organic Chemistry, 2008, vol. 73, # 17, p. 6780 - 6783
[2] Patent: US2016/251376, 2016, A1. Location in patent: Paragraph 0895; 0896; 0897 |
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