Basic information
- CAS
238742-83-1- Standard SMILES
CC(C)(C)c1cc(C(F)(F)F)nc(N)n1- InChIKey
XIUFUZWOHSSRKX-UHFFFAOYSA-N- Molecular formula
- C9H12F3N3
- Average molar mass
- 219.21 g/mol
- Monoisotopic mass
- 219.09833188
Names & identifiers
- Preferred name
- 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine
- IUPAC
- 4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-amine
- English name
- 2-Amino-6-t-butyl-4-(trifluoromethyl)pyrimidine
- Molecular formula
- C9H12F3N3
- Molecular weight
- 219.21
Names & synonyms
4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamineRefChem:510073238742-83-14-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-2-amine4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-amine2-amino-6-t-butyl-4-(trifluoromethyl)pyrimidine2-amino-4-t-butyl-6-(trifluoromethyl)pyrimidine2-Amino-4-Tert-Butyl-6-(Trifluoromethyl)Pyrimidine2-Amino-6-tert-butyl-4-(trifluoromethyl)pyrimidine2-amino-4-(tert-butyl)-6-(trifluoromethyl)pyrimidine2-amino-6-tertbutyl-4-(trifluoromethyl)pyrimidine4-(t-butyl)-6-(trifluoromethyl)pyrimidin-2-amine
Show more names
AKOS BBS-000002112-Amino-6-tert-butyl-4-(trifluoromethyl)pyrimidine ,97%
4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinamine4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-ylamine2-amino-6-(tert-butyl)-4-(trifluoromethyl)pyrimidineMFCD00458223Maybridge1_004123CBDivE_012552HMS553D11DTXSID30351118
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 48 °C · 48 °C
- Boiling point
- 48 · 48-50°C
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.5 · 2.50±0.10(Predicted)
- CAS DataBase Reference
- 238742 · 238742-83-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers19 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
郑州鸿晟医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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