2,5-Difluoro-N,alpha-dimethylbenzenemethanamine
Basic information
- CAS
926227-56-7- Standard SMILES
CNC(C)c1cc(F)ccc1F- InChIKey
SRVVQVRSBZVYPA-UHFFFAOYSA-N- Molecular formula
- C9H11F2N
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08595568
Names & identifiers
- Preferred name
- 2,5-Difluoro-N,alpha-dimethylbenzenemethanamine
- IUPAC
- 1-(2,5-difluorophenyl)-N-methylethanamine
- English name
- [1-(2,5-difluorophenyl)ethyl](methyl)amine
- Molecular formula
- C9H11F2N
- Molecular weight
- 171.19
Names & synonyms
926227-56-7RefChem:2474312,5-Difluoro-N,alpha-dimethylbenzenemethanamine[1-(2,5-difluorophenyl)ethyl](methyl)amine1-(2,5-difluorophenyl)-N-methylethanamine1-(2,5-DIFLUOROPHENYL)-N-METHYLETHAN-1-AMINESCHEMBL20575169DTXSID501261909BMB22756AKOS000129683AKOS022476624CS-0246533
Show more names
2,5-Difluoro-N,α-dimethylbenzenemethanamineBenzenemethanamine, 2,5-difluoro-N,α-dimethyl-
EN300-33249G200762,5-Difluoro-N,I+/--dimethylbenzenemethanamineZ239629056
Database identifiers
- CAS
926227-56-7- PubChem CID
- 16773293
- DTXSID
DTXSID501261909- EC Number
- 991-569-2
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 175.4 · 175.4±25.0 °C(Predicted)
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- pka
- 8.72 · 8.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…