Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 14:28, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465365223 of page Tris(pentafluorophenyl)boron for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 14:28, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 454314972 of page Tris-(Benzyltriazolylmethyl)amine for the Chem/Drugbox validation project (updated: 'StdInChI').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
			\| ImageFile = Tris-(benzyltriazolylmethyl)amine.png
	\| verifiedrevid = 414858108
			\| ImageSize =
	\| Name = Tris(pentafluorphenyl)boron
			\| IUPACName = 1-(1-benzyltriazol-4-yl)-N,N-bismethanamine
	\| ImageFile = Tris(pentafluorophenyl)boron-2D-skeletal.png
	\| ~~ImageSize~~ = ~~200px~~		\| OtherNames =
	\| ImageFile1 = Tris(pentafluorophenyl)boron-3D-vdW.png
	\| ImageSize1 = 200px
	\| ImageName = Tris(pentafluorphenyl)boron
	\| IUPACName = Tris(pentafluorophenyl)borane
	\| OtherNames = Perfluorotriphenylboron<br>Tris(pentafluorophenyl)boron
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| InChI = 1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
	\| SMILES = B(c1c(c(c(c(c1F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)c3c(c(c(c(c3F)F)F)F)F
		⚫	\| InChIKey1 = WKGZJBVXZWCZQC-UHFFFAOYSA-N
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| InChI1 = 1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
⚫	\| ChemSpiderID = ~~505917~~
	\| ~~PubChem~~ = ~~582056~~		\| CASNo =
			\| PubChem = 11203363
	\| InChI = 1/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
		⚫	\| ChemSpiderID = 9378431
	\| InChIKey = OBAJXDYVZBHCGT-UHFFFAOYAC
			\| StdInChIKey = WKGZJBVXZWCZQC-UHFFFAOYSA-N
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| SMILES = c1ccc(cc1)Cn2cc(nn2)CN(Cc3cn(nn3)Cc4ccccc4)Cc5cn(nn5)Cc6ccccc6
	\| StdInChI = 1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
			\| StdInChI = 1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	}}
⚫	\| ~~StdInChIKey~~ = ~~OBAJXDYVZBHCGT~~-UHFFFAOYSA-N
	\| CASNo_Ref = {{cascite\|correct\|??}}
	\| CASNo = <!-- blanked - oldvalue: 1109-15-5 -->
⚫	\| ~~RTECS~~ =
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| C = 30 \| H = 30 \| N = 10
	\| Formula = C<sub>18</sub>F<sub>15</sub>B
	\| ~~MolarMass~~ = ~~511.98 g/mol~~		\| Appearance =
		⚫	\| Density =
	\| Appearance = colorless solid
	\| ~~Density~~ =		\| MeltingPt =
	\| ~~Solubility~~ = ~~forms adduct~~		\| BoilingPt =
			\| Solubility =
	\| MeltingPt = 126-131 °C
	\| BoilingPt =
	\| Viscosity =
	}}
	\| Section3 = {{Chembox Structure
	\| MolShape = trigonal planar
	\| Dipole = 0 ]
	}}
	\| Section7 = {{Chembox Hazards
	\| ExternalMSDS =
⚫	\| MainHazards =
	\| RPhrases = {{R36/37/38}}
	\| SPhrases = {{S26}} {{S36}}
	}}		}}
	\| ~~Section8~~ = {{Chembox ~~Related~~		\| Section3 = {{Chembox Hazards
		⚫	\| MainHazards =
	\| OtherCpds = Triphenylboron (C<sub>6</sub>H<sub>5</sub>)<sub>3</sub>B<br />]
			\| FlashPt =
			\| Autoignition =
	}}		}}
	}}		}}

Revision as of 14:28, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 454314972 of page Tris-(Benzyltriazolylmethyl)amine with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 1-(1-benzyltriazol-4-yl)-N,N-bismethanamine
Identifiers
3D model (JSmol)	Interactive image
ChemSpider	9378431
PubChem CID	11203363
InChI InChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2Key: WKGZJBVXZWCZQC-UHFFFAOYSA-N InChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2 InChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2Key: WKGZJBVXZWCZQC-UHFFFAOYSA-N
SMILES c1ccc(cc1)Cn2cc(nn2)CN(Cc3cn(nn3)Cc4ccccc4)Cc5cn(nn5)Cc6ccccc6
Properties
Chemical formula	C₃₀H₃₀N₁₀
Molar mass	530.640 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references

Chemical compound