2-Tert-butyl-3,4-dihydropyrimidin-4-one
Basic information
- CAS
42351-88-2- Standard SMILES
CC(C)(C)c1nccc(=O)[nH]1- InChIKey
PHJLZBIRORCZFZ-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.09496301
Names & identifiers
- Preferred name
- 2-Tert-butyl-3,4-dihydropyrimidin-4-one
- IUPAC
- 2-tert-butyl-1H-pyrimidin-6-one
- English name
- 2-tert-butylpyriMidin-4(1H)-one
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.19
Names & synonyms
42351-88-22-tert-butyl-3,4-dihydropyrimidin-4-oneRefChem:483619832-276-02-(tert-Butyl)pyrimidin-4-ol2-(TERT-BUTYL)PYRIMIDIN-4(3H)-ONE2-tert-butyl-1H-pyrimidin-6-oneMFCD118476802-tert-butylpyriMidin-4(1H)-oneSCHEMBL393333SCHEMBL803691SCHEMBL4987360
Show more names
4(3H)-Pyrimidinone, 2-(1,1-dimethylethyl)-4(1H)-PyriMidinone, 2-(1,1-diMethylethyl)-
SCHEMBL241976981,1-dimethylethyl-4-pyrimidinolPHJLZBIRORCZFZ-UHFFFAOYSA-N2-(t-Butyl)pyrimidin-4(3H)-oneSBA35188AKOS009844251AKOS022177033SB56223
Database identifiers
- CAS
42351-88-2- PubChem CID
- 12258917
- EC Number
- 832-276-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 150 · 150-151 °C
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 29 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…