1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole
Basic information
- CAS
139591-04-1- Standard SMILES
C#CCn1c(C(F)(F)F)nc2ccccc21- InChIKey
BGVAOBAJEPPXHE-UHFFFAOYSA-N- Molecular formula
- C11H7F3N2
- Average molar mass
- 224.18 g/mol
- Monoisotopic mass
- 224.05613272
Names & identifiers
- Preferred name
- 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 1-prop-2-ynyl-2-(trifluoromethyl)benzimidazole
- English name
- 1-(2-Propynyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole
- Molecular formula
- C11H7F3N2
- Molecular weight
- 224.18
Names & synonyms
139591-04-11-(prop-2-yn-1-yl)-2-(trifluoromethyl)-1H-1,3-benzodiazoleDTXSID3012119461-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazoleRefChem:422638DTXCID401643306893-944-51-(2-propynyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole1-prop-2-ynyl-2-(trifluoromethyl)benzimidazoleMFCD02102640SCHEMBL28079891BGVAOBAJEPPXHE-UHFFFAOYSA-N
Show more names
1H-Benzimidazole, 1-(2-propyn-1-yl)-2-(trifluoromethyl)-
PFA59104AKOS003149530DS-016137CS-0224067G290682R-1502EN300-117681311-(2-Propynyl)-2-(trifluoromethyl)-1h-benzimidazole
Database identifiers
- CAS
139591-04-1- PubChem CID
- 1472597
- DTXSID
DTXSID301211946- EC Number
- 893-944-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 269.1 · 269.1±40.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 2.11 · 2.11±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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (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
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