Basic information
- CAS
2145-56-4- Standard SMILES
O=C1NCC(C(F)(F)F)C(=O)N1- InChIKey
ACYJXCFDMOGNSM-UHFFFAOYSA-N- Molecular formula
- C5H5F3N2O2
- Average molar mass
- 182.1 g/mol
- Monoisotopic mass
- 182.03031189
Names & identifiers
- Preferred name
- 5,6-Dihydro-5-(trifluoromethyl)uracil
- IUPAC
- 5-(trifluoromethyl)-1,3-diazinane-2,4-dione
- English name
- 5,6-Dihydro-5-(trifluoromethyl)uracil
- Molecular formula
- C5H5F3N2O2
- Molecular weight
- 182.1
Names & synonyms
5,6-Dihydro-5-(trifluoromethyl)uracilRefChem:528060641-263-72145-56-45-(Trifluoromethyl)dihydropyrimidine-2,4(1H,3H)-dione5-(trifluoromethyl)-1,3-diazinane-2,4-dioneMFCD000422615-trifluoromethyl-5,6-dihydrouracil5-(trifluoromethyl)hexahydropyrimidine-2,4-dione5-trifluoromethyldihydrouracilSCHEMBL1270622DTXSID70274473
Show more names
Degarelix Impurity 75,6-DIHYDRO-5-(TRIFLUOROMETHYL)URACI5-(TRIFLUOROMETHYL)-5,6-DIHYDROURACILURACIL, (+/-)-5-TRIFLUOROMETHYL-5,6-DIHYDRO-5-Trifluoromethyl-dihydro-pyrimidine-2,4-dione5-(TRIFLUOROMETHYL-5,6-DIHYDROURACIL, 97% MIN.Dihydro-5-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
STR10303SBB089861AKOS006275634FS-1074SB55632SY392905CS-03606285-(trifluoromethyl)-hexahydro-pyrimidine-2,4-dione
Database identifiers
- CAS
2145-56-4
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 205 · 205-206 °C
- Density
- 1.461 · 1.461±0.06 g/cm3(Predicted)
- solubility
- 10 mg/mL · ethanol: >10 mg/mL
- pka
- 10.68 · 10.68±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
- HS Code
- 2933599590 · 2933599590
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]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+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.
Safety data
- wgk
- 3
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers28 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
武汉问津化学科技有限公司13517196568 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳利斯康医药科技有限公司0755-89396905 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
Related reactions
10 records
Compound notes
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