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Revision as of 18:27, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456620789 of page 5-Bromo-DMT for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 18:27, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443355526 of page 5-Bromouracil for the Chem/Drugbox validation project (updated: '').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{chembox
| verifiedrevid = 413275757 | verifiedrevid = 443354280
| ImageFile = 5-Bromouracil structure.png
| Name = 5-Bromo-DMT
⚫ | ImageSize = 150px
| ImageFile = 5-Bromo-DMT.svg
| IUPACName = 5-Bromo-1H-pyrimidine-2,4-dione
⚫ | ImageSize = 200px
| OtherNames = 5-Bromo-2,4-dihydroxypyrimidine
| ImageName =
| IUPACName = dimethylamine
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| Abbreviations = 5-BrU<br>5-BU
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 319812 | ChemSpiderID = 5597
| InChI = 1/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
| InChIKey = ATEYZYQLBQUZJE-UHFFFAOYAL | InChIKey = LQLQRFGHAALLLE-UHFFFAOYAN
| SMILES1 = CN(C)CCc2cnc1ccc(Br)cc12
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 403031 | ChEMBL = 144730
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3 | StdInChI = 1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = ATEYZYQLBQUZJE-UHFFFAOYSA-N | StdInChIKey = LQLQRFGHAALLLE-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|??}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = <!-- blanked - oldvalue: 17274-65-6 --> | CASNo = 51-20-7
| PubChem = 360252 | EINECS =
| PubChem = 5802
| SMILES = CN(C)CCC1=CNC2=C1C=C(Br)C=C2
| SMILES = Br/C1=C/NC(=O)NC1=O
}}
| InChI = 1/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
| RTECS =
| MeSHName =
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 20552
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>12</sub>H<sub>15</sub>N<sub>2</sub>Br | Formula = C<sub>4</sub>H<sub>3</sub>BrN<sub>2</sub>O<sub>2</sub>
| MolarMass = | MolarMass = 190.983 g/mol
| Density = | Appearance =
| Density =
| MeltingPt = 98-99 °C | MeltingPt =
⚫ | BoilingPt =
| Melting_notes =
}}
⚫ | BoilingPt =
| Boiling_notes =
| Solubility =
| SolubleOther =
| Solvent =
| pKa =
| pKb = }}
| Section7 = {{Chembox Hazards
| EUClass =
| EUIndex =
| MainHazards =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| NFPA-O =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| PEL = }}
}} }}

Revision as of 18:27, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 443355526 of page 5-Bromouracil with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 5-Bromo-1H-pyrimidine-2,4-dione
Other names 5-Bromo-2,4-dihydroxypyrimidine
Identifiers
CAS Number
3D model (JSmol)
Abbreviations 5-BrU
5-BU
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)Key: LQLQRFGHAALLLE-UHFFFAOYSA-N
  • InChI=1/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)Key: LQLQRFGHAALLLE-UHFFFAOYAN
SMILES
  • Br/C1=C/NC(=O)NC1=O
Properties
Chemical formula C4H3BrN2O2
Molar mass 190.983 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound