Basic information
- CAS
143101-25-1- Standard SMILES
C#Cc1cc(F)c(F)cc1N- InChIKey
LNQYKYKVMWBRQK-UHFFFAOYSA-N- Molecular formula
- C8H5F2N
- Average molar mass
- 153.13 g/mol
- Monoisotopic mass
- 153.03900549
Names & identifiers
- Preferred name
- 2-Ethynyl-4,5-difluoroaniline
- IUPAC
- 2-ethynyl-4,5-difluoroaniline
- English name
- 2-Ethynyl-4,5-difluoro-phenylamine
- Molecular formula
- C8H5F2N
- Molecular weight
- 153.13
Names & synonyms
143101-25-12-ethynyl-4,5-difluoroaniline4,5-Difluoro-2-ethynylanilineBenzenamine,2-ethynyl-4,5-difluoro-2-ETHYNYL-4,5-DIFLUORO-PHENYLAMINE2-ethynyl-4,5-difluorophenylamineSCHEMBL23380330DTXSID00567365SBB086886DB-261011EN300-7551084Benzenamine, 2-ethynyl-4,5-difluoro-
Show more names
Benzenamine, 2-ethynyl-4,5-difluoro- (9CI)
Database identifiers
- CAS
143101-25-1- PubChem CID
- 15039780
- DTXSID
DTXSID00567365
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 44 · 44-46 °C
- Boiling point
- 225.7 · 225.7±40.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 1.17 · 1.17±0.13(Predicted)
- Hazard Codes
- T
- HS Code
- 2921420090 · 2921420090
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
- hs_code
- 2921420090
- hazard_code
- T
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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