2,3,6-Trifluorobenzamide
Basic information
- CAS
207986-22-9- Standard SMILES
NC(=O)c1c(F)ccc(F)c1F- InChIKey
BWWGEHSEZGXEKB-UHFFFAOYSA-N- Molecular formula
- C7H4F3NO
- Average molar mass
- 175.11 g/mol
- Monoisotopic mass
- 175.02449824
Names & identifiers
- Preferred name
- 2,3,6-Trifluorobenzamide
- IUPAC
- 2,3,6-trifluorobenzamide
- English name
- 2,3,6-Trifluorobenzamide
- Molecular formula
- C7H4F3NO
- Molecular weight
- 175.11
Names & synonyms
2,3,6-Trifluorobenzamide207986-22-9MFCD00061266Benzamide, 2,3,6-trifluoro-SCHEMBL7146004DTXSID90344122AKOS006230394PS-10121CS-0313648E83840FT-0609480A814921
Show more names
SKL7912,3,6-Trifluorobenzamide97%2,3,6-Trifluorobenzamide,99%2,3,6-Trifluorobenzamide 97%
SCHEMBL29782972SBB089001SY062175ST50408160F008711InChI=1/C7H4F3NO/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11InChI=1/C7H4F3NO/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12
Database identifiers
- CAS
207986-22-9- PubChem CID
- 594552
- DTXSID
DTXSID90344122- EC Number
- 671-019-5
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 115 · 115-118°C
- Boiling point
- 152.1 · 152.1±40.0 °C(Predicted)
- Density
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.99 · 13.99±0.50(Predicted)
- Appearance
- Light yellow to yellow Solid
- CAS DataBase Reference
- 207986 · 207986-22-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
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)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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