Methyl-(6-trifluoromethyl-pyrimidin-4-yl)-amine
Basic information
- CAS
1823585-68-7- Standard SMILES
CNc1cc(C(F)(F)F)ncn1- InChIKey
GHYOLTADTFMFIY-UHFFFAOYSA-N- Molecular formula
- C6H6F3N3
- Average molar mass
- 177.13 g/mol
- Monoisotopic mass
- 177.05138169
Names & identifiers
- Preferred name
- Methyl-(6-trifluoromethyl-pyrimidin-4-yl)-amine
- IUPAC
- N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
- English name
- Methyl-(6-trifluoromethyl-pyrimidin-4-yl)-amine
- Molecular formula
- C6H6F3N3
- Molecular weight
- 177.13
Names & synonyms
Methyl-(6-trifluoromethyl-pyrimidin-4-yl)-amine1823585-68-7N-methyl-6-(trifluoromethyl)pyrimidin-4-amineMFCD28155388SCHEMBL12145435GHYOLTADTFMFIY-UHFFFAOYSA-NAKOS026715759SB34553CS-0341729F736967Methyl-(6-(trifluoromethyl)pyrimidin-4-yl)-amineF2147-2313
Show more names
4-Pyrimidinamine, N-methyl-6-(trifluoromethyl)-
Database identifiers
- CAS
1823585-68-7- PubChem CID
- 20133982
- EC Number
- 173-755-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 231.4 · 231.4±40.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 2.55 · 2.55±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
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%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…