2,6-Difluoroaniline

HCID 79647CAS 5509-65-9
Substructure searchFind similar structures

Basic information

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 properties

XLogP
1.4
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

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)

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 3 items

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

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

Petrochemical Manufacturing

Benzenamine, 2,6-difluoro-: ACTIVE

Applications · 3 items

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
泰安环宇化工有限公司13176825516; 13176825516

Related reactions

207 records
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Linked notes

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