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Revision as of 04:47, 17 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457807104 of page Allantoic_acid for the Chem/Drugbox validation project (updated: 'ChEBI', 'KEGG', 'CASNo').← Previous edit Revision as of 04:47, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476656548 of page Alizarine_Yellow_R for the Chem/Drugbox validation project (updated: 'CASNo').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 = 421637880
| Verifiedfields = changed
| Name = Alizarine Yellow R
⚫ | verifiedrevid = 457805951
| ImageFile1 = Alizarin-yellow-R-1718-34-9-sodium-salt-2D-skeletal.png
| ImageFile = Allantoic acid.png
| ImageSize = 180px | ImageSize1 = 220px
| ImageName1 = Alizarin Yellow R (sodium salt)
| PIN = 2,2-Diureidoacetic acid
| ImageFile2 = Alizarin-yellow-R-2243-76-7-acid-2D-skeletal.png
| SystematicName = 2,2-Bis(carbamoylamino)acetic acid
| ImageSize2 = 200px
| OtherNames = 2,2-Diacetic acid<br />
| ImageName2 = Alizarin Yellow R (acid)
Diureidoacetate
| IUPACName =
| OtherNames = 5-salicylic acid sodium salt <br /> Chrome Orange <br /> Mordant Orange 1 <br /> C.I. 14030
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| InChI1 = 1/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
| InChIKey1 = NUCLJNSWZCHRKL-UHFFFAOYAF
| SMILES1 = O=C(NC(C(=O)O)NC(=O)N)N
⚫ | CASNo_Ref = {{cascite|changed|??}}
⚫ | CASNo = <!-- blanked - oldvalue: 99-16-1 -->
| PubChem = 203
| PubChem_Ref = {{pubchemcite|correct|??}}
⚫ | ChemSpiderID = 198
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 17215762
| EINECS = 202-735-4
| InChI = 1/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1/b15-14+;
| KEGG_Ref = {{keggcite|changed|kegg}}
| InChIKey = HXKKTXMJSVFQSL-QUIZLSBABP
| KEGG = <!-- blanked - oldvalue: C00499 -->
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| MeSHName = Allantoic+acid
| StdInChI = 1S/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1/b15-14+;
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 30837
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = NUCLJNSWZCHRKL-UHFFFAOYSA-N | StdInChIKey = HXKKTXMJSVFQSL-WPDLWGESSA-M
⚫ | CASNo_Ref = {{cascite|correct|??}}
| SMILES = NC(=O)NC(NC(N)=O)C(O)=O
⚫ | CASNo = <!-- blanked - oldvalue: 1718-34-9 -->
| InChI = 1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
| CASOther = &nbsp;(Na salt)<br />2243-76-7 (acid)<ref name="CRC">{{ cite book | title = CRC Handbook of Chemistry and Physics, 89th Edition | last = Lide | first = David R. | year = 2008 | publisher = ] | isbn = 978-0-8493-0488-0 | pages = 3–10}}</ref>
| InChIKey = NUCLJNSWZCHRKL-UHFFFAOYSA-N
| SMILES = .O=C()c1cc(ccc1O)/N=N/c2ccc(cc2)()=O
| Beilstein = 1790227
}}
| 3DMet = B01270}}
|Section2= {{Chembox Properties | Section2 = {{Chembox Properties
| Formula=C<sub>4</sub>H<sub>8</sub>N<sub>4</sub>O<sub>4</sub> | Formula = C<sub>13</sub>H<sub>8</sub>N<sub>3</sub>NaO<sub>5</sub> (Na salt)<br />C<sub>13</sub>H<sub>9</sub>N<sub>3</sub>O<sub>5</sub> (acid)
| MolarMass = 309.21 g mol<sup>−1</sup> (Na salt) <br /> 287.23 g mol<sup>−1</sup> (acid)
| Appearance=
| Density= 1.618 g/cm<sup>3</sup> | Density =
| Solubility= | MeltingPt =
| BoilingPt =
}} }}
|Section3= {{Chembox Hazards | Section3 = {{Chembox Hazards
| MainHazards = Harmful
| FlashPt=219.4 °C | FlashPt =
| Autoignition =
}} }}
}} }}

Revision as of 04:47, 17 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 476656548 of page Alizarine_Yellow_R with values updated to verified values.
Alizarine Yellow R
Alizarin Yellow R (sodium salt)
Alizarin Yellow R (acid)
Names
Other names 5-salicylic acid sodium salt
Chrome Orange
Mordant Orange 1
C.I. 14030
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1/b15-14+;Key: HXKKTXMJSVFQSL-WPDLWGESSA-M
  • InChI=1/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1/b15-14+;Key: HXKKTXMJSVFQSL-QUIZLSBABP
SMILES
  • .O=C()c1cc(ccc1O)/N=N/c2ccc(cc2)()=O
Properties
Chemical formula C13H8N3NaO5 (Na salt)
C13H9N3O5 (acid)
Molar mass 309.21 g mol (Na salt)
287.23 g mol (acid)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Harmful
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
  1. Lide, David R. (2008). CRC Handbook of Chemistry and Physics, 89th Edition. CRC Press. pp. 3–10. ISBN 978-0-8493-0488-0.