Nsc116579
Basic information
- CAS
351-16-6- Standard SMILES
Oc1ccccc1C=Nc1cccc(C(F)(F)F)c1- InChIKey
CZMNFSJFHBHPIQ-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO
- Average molar mass
- 265.23 g/mol
- Monoisotopic mass
- 265.07144843
Names & identifiers
- Preferred name
- Nsc116579
- IUPAC
- 2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
- English name
- 2-[(1E)-{[3-(trifluoromethyl)phenyl]imino}methyl]phenol
- Molecular formula
- C14H10F3NO
- Molecular weight
- 265.23
Names & synonyms
351-16-6NSC116579DTXSID40420809ALPHA-(3-(TRIFLUOROMETHYL)PHENYLIMINO)-O-CRESOLRefChem:854807DTXCID90371655652-099-02-((E)-{[3-(trifluoromethyl)phenyl]imino}methyl)phenol2-({[3-(trifluoromethyl)phenyl]imino}methyl)phenol2-[(3-Trifluoromethyl-phenylimino)-methyl]-phenol2-[(E)-{[3-(trifluoromethyl)phenyl]imino}methyl]phenolMaybridge1_000504
Show more names
2-[(1E)-{[3-(trifluoromethyl)phenyl]imino}methyl]phenol
HMS542O20STK688165AKOS002936498NSC-116579ST41272692-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol2-{(1E)-2-[3-(trifluoromethyl)phenyl]-2-azavinyl}phenol(6E)-6-{[3-(Trifluoromethyl)anilino]methylidene}cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
351-16-6- PubChem CID
- 272276
- DTXSID
DTXSID40420809- EC Number
- 652-099-0
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 360.967 · 360.967±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.222 · 1.222±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.358 · 8.358±0.30(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H411-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H335-H315-H411-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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