2,6-Difluoroaniline
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Basic information
- CAS
5509-65-9- Standard SMILES
Nc1c(F)cccc1F- InChIKey
ODUZJBKKYBQIBX-UHFFFAOYSA-N- Molecular formula
- C6H5F2N
- Average molar mass
- 129.11 g/mol
- Monoisotopic mass
- 129.0390056
Names & identifiers
- Preferred name
- 2,6-Difluoroaniline
- IUPAC
- 2,6-difluoroaniline
- English name
- 2,6-Difluoroaniline
- Molecular formula
- C6H5F2N
- Molecular weight
- 129.11
Names & synonyms
2,6-Difluoroaniline5509-65-9Benzenamine, 2,6-difluoro-2,6-DIFLUOROBENZENAMINEEINECS 226-853-0NSC 127234NSC-127234943G3H8895DTXSID2073350RefChem:83226DTXCID7041835226-853-0
Show more names
2,6-Difuluoroaniline2,6-DifluorophenylaMine2,6-DifluorobenzeneaMine26DFAJACS-5509-65-96-DifluoroanilineAbesili Impurity 8
InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9HODUZJBKKYBQIBX-UHFFFAOYSA-N2,6-Difluoro-phenylamineMFCD000076552,6-Difluorobenzenamine; 2,6-Difluorobenzeneamine; 2,6-Difluorophenylamine; NSC 127234;NSC1272342,6 difluoroaniline2,6-diflouroaniline
Database identifiers
- CAS
5509-65-9- PubChem CID
- 79647
- DTXSID
DTXSID2073350- UNII
- 943G3H8895
- EC Number
- 226-853-0
- Nikkaji
- J1.837F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
LogP1.61
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 51 · 51-52 °C/15 mmHg (lit.)
- Density
- 1.199 g/mL · 1.199 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.508(lit.)
- Flash point
- 110 °F · 110 °F
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- Chloroform, Ethyl Acetate (Slightly)
- form
- Liquid
- pka
- 1.81 · 1.81±0.10(Predicted)
- Specific Gravity
- 1.28 · 1.28
- color
- Clear yellow to brown
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 133 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenamine, 2,6-difluoro-
Benzenamine, 2,6-difluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2,6-difluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 8-10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29214210
- risk_code
- 10-20/21/22-36/37/38
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Petrochemical Manufacturing
Benzenamine, 2,6-difluoro-: ACTIVE
Applications
Uses2,6-Difluoroaniline is an important chemical in the sythesis technology for high-efficiency insecticide.
Uses2,6-Difluoroaniline was used in the synthesis of:N-2,6-difluorophenyl-5-methoxy-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide, herbicidal compoundseries of 2,6,9-trisubstituted purine inhibitors of p38α kinasesubstituted phenylthiomorpholine dioxide, an active pharmaceutical intermediate
Uses2,6-Difluoroaniline and several related primary amines are oxidized in chloroform by peroxybenzoic acid to the corresponding nitroso compounds. For example, treatment of 2,6-difluoroaniline with sodium azide can obtain 4-fluoro-2,1,3-benzoxadiazole, and the product is nitrified to obtain 7-nitro derivatives[1]. 2,6-Difluoroaniline is an important raw material and intermediate in organic synthesis, medicine, pesticides, dyes and other fields.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
207 records
Compound notes
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