Basic information
- CAS
946773-98-4- Standard SMILES
Cc1ccc(Oc2ccc(F)c(F)c2)c(N)c1- InChIKey
QSJQLGRUKMCQCK-UHFFFAOYSA-N- Molecular formula
- C13H11F2NO
- Average molar mass
- 235.23 g/mol
- Monoisotopic mass
- 235.0808703
Names & identifiers
- Preferred name
- 2-(3,4-Difluorophenoxy)-5-methylaniline
- IUPAC
- 2-(3,4-difluorophenoxy)-5-methylaniline
- English name
- 2-(3,4-DIFLUOROPHENOXY)-5-METHYLANILINE
- Molecular formula
- C13H11F2NO
- Molecular weight
- 235.23
Names & synonyms
2-(3,4-DIFLUOROPHENOXY)-5-METHYLANILINE946773-98-4AKOS005852367SB80786Benzenamine, 2-(3,4-difluorophenoxy)-5-methyl-
Database identifiers
- CAS
946773-98-4- PubChem CID
- 26189516
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 301.4 · 301.4±42.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 3.78 · 3.78±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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