Basic information
- CAS
36108-11-9- Standard SMILES
Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1- InChIKey
BWAMPMQJCLPKTR-UHFFFAOYSA-N- Molecular formula
- C11H7F6N5
- Average molar mass
- 323.2 g/mol
- Monoisotopic mass
- 323.06056422
Names & identifiers
- Preferred name
- 6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
- English name
- N-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-N-[3-(trifluoromethyl)phenyl]amine
- Molecular formula
- C11H7F6N5
- Molecular weight
- 323.2
Names & synonyms
36108-11-96-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamineSMR0000206146-(trifluoromethyl)-N2-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamineMLS0000435986-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine6-(Trifluoromethyl)-N2-(3-(trifluoromethyl)phenyl)-1,3,5-triazine-2,4-diamine6-TRIFLUOROMETHYL-N-(3-TRIFLUOROMETHYL-PHENYL)-(1,3,5)TRIAZINE-2,4-DIAMINE6-Trifluoromethyl-N-(3-trifluoromethyl-phenyl)-[1,3,5]triazine-2,4-diaminecid_690744SCHEMBL1391440CHEMBL1381088
Show more names
1,3,5-Triazine-2,4-diamine, 6-(trifluoromethyl)-N2-[3-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-N~2~-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamineN-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-N-[3-(trifluoromethyl)phenyl]amine
BDBM78004HMS2295F20AKOS001690139RS-0225ST009521SR-01000087859SR-01000087859-1[4-amino-6-(trifluoromethyl)(1,3,5-triazin-2-yl)][3-(trifluoromethyl)phenyl]am ine
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Melting point
- 156 · 156-158 °C
- Boiling point
- 382.3 · 382.3±52.0 °C(Predicted)
- Density
- 1.58 · 1.580±0.06 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.10(Predicted)
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, 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. 3 (100%)
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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