ChemWiki - User contributions [en]

It07:Trinitrotoluene

2007-10-22T15:27:06Z

Zy506: /* Tinitrotoluene */

==Tinitrotoluene==
</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Trinitrotoluene.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-Methyl-1,3,5-trinitrobenzene

|-
| Other names
| 2,4,6-Trinitrotoluene Trotyl; 2,4,6-Trinitromethylbenzene
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C6H2(NO2)3CH3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| Cc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 227.131 g/mol
|-
| Appearance
| Yellow(Needle Shaped)
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 118-96-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density]
| 1.654 g/cm³
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 130 mg/L of H2O (20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in other solvent]
| ether;acetone;benzene;pyridine
|-
| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 353.35K 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 568K
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Acidity] (p''K''a) 
| {{{pKa}}}
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K''b) 
| {{{pKb}}}
|-
| [http://en.wikipedia.org/wiki/Specific_rotation Chiral rotation <nowiki>[α]</nowiki>D] 
| {{{Rotation}}}°
|-
| [http://en.wikipedia.org/wiki/Viscosity Viscosity]
| {{{Viscosity}}} [[Poise|cP]] at 25°C 
|-
! {{chembox header}} | Structure
|-
| [http://en.wikipedia.org/wiki/Orbital_hybridisation Molecular shape] 
| {{{Mol_Shape}}} 
|-
| [http://en.wikipedia.org/wiki/Coordination_geometry Coordination geometry] 
| {{{Coordination}}} 
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| {{{Crystal_Structure}}} 
|-
| [[Dipole#Molecular_dipoles|Dipole moment]]
| {{{DM}}} [[Debye|D]]
|-
! {{chembox header}} | Hazards 
|-
| [[Material safety data sheet|MSDS]]
| [[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [[Worker safety and health|hazard]]s
| {{{Hazards}}} 
|-
| [[NFPA 704]]
| {{{NFPA}}}
|-
| [[Flash point]]
| {{{Fp}}}°C
|-
| [[Risk and Safety Statements|R/S statement]]
| [[List of R-phrases|R]]: {{{R-S}}} [[List of S-phrases|S]]: ?
|-
| [[RTECS]] number
| {{{RTECS}}}
|-
! {{chembox header}} | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| [[{{PAGENAME}} (data page)#Structure and properties|Structure and properties]]
| [http://en.wikipedia.org/wiki/Refractive_index ''n''], [http://en.wikipedia.org/wiki/Dielectric_constant εr], etc.
|-
| [[{{PAGENAME}} (data page)#Thermodynamic properties|Thermodynamic data]]
| Phase behaviour Solid, liquid, gas
|-
| [[{{PAGENAME}} (data page)#Spectral data|Spectral data]]
| [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} | Related compounds
|-
| Other [[Ion|anion]]s 
| {{{Other_anion}}} 
|-
| Other [[Ion|cation]]s 
| {{{Ohter_cation}}} 
|-
| Related compounds

| {{{Relative_Compounds}}}
|-
| {{chembox header}} | Except where noted otherwise, data are given for materials in their [[standard state|standard state (at 25 °C, 100 kPa)]] [[wikipedia:Chemical infobox|Infobox disclaimer and references]]
|-
|}
{{Chem-Data_Structure}}

File:Trinitrotoluene.gif

2007-10-22T15:25:23Z

Zy506:

File:Trinitrotoluene.cdx

2007-10-22T15:23:22Z

Zy506:

It07:Trinitrotoluene

2007-10-22T15:16:21Z

Zy506: New page: ==Tinitrotoluene== </noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px" ! {{chembox header}} | {{PA...

==Tinitrotoluene==
</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-Methyl-1,3,5-trinitrobenzene

|-
| Other names
| 2,4,6-Trinitrotoluene Trotyl; 2,4,6-Trinitromethylbenzene
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C6H2(NO2)3CH3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| Cc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 227.131 g/mol
|-
| Appearance
| Yellow(Needle Shaped)
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 118-96-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density]
| 1.654 g/cm³
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 130 mg/L of H2O (20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in other solvent]
| ether;acetone;benzene;pyridine
|-
| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 353.35K 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 568K
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Acidity] (p''K''a) 
| {{{pKa}}}
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K''b) 
| {{{pKb}}}
|-
| [http://en.wikipedia.org/wiki/Specific_rotation Chiral rotation <nowiki>[α]</nowiki>D] 
| {{{Rotation}}}°
|-
| [http://en.wikipedia.org/wiki/Viscosity Viscosity]
| {{{Viscosity}}} [[Poise|cP]] at 25°C 
|-
! {{chembox header}} | Structure
|-
| [http://en.wikipedia.org/wiki/Orbital_hybridisation Molecular shape] 
| {{{Mol_Shape}}} 
|-
| [http://en.wikipedia.org/wiki/Coordination_geometry Coordination geometry] 
| {{{Coordination}}} 
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| {{{Crystal_Structure}}} 
|-
| [[Dipole#Molecular_dipoles|Dipole moment]]
| {{{DM}}} [[Debye|D]]
|-
! {{chembox header}} | Hazards 
|-
| [[Material safety data sheet|MSDS]]
| [[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [[Worker safety and health|hazard]]s
| {{{Hazards}}} 
|-
| [[NFPA 704]]
| {{{NFPA}}}
|-
| [[Flash point]]
| {{{Fp}}}°C
|-
| [[Risk and Safety Statements|R/S statement]]
| [[List of R-phrases|R]]: {{{R-S}}} [[List of S-phrases|S]]: ?
|-
| [[RTECS]] number
| {{{RTECS}}}
|-
! {{chembox header}} | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| [[{{PAGENAME}} (data page)#Structure and properties|Structure and properties]]
| [http://en.wikipedia.org/wiki/Refractive_index ''n''], [http://en.wikipedia.org/wiki/Dielectric_constant εr], etc.
|-
| [[{{PAGENAME}} (data page)#Thermodynamic properties|Thermodynamic data]]
| Phase behaviour Solid, liquid, gas
|-
| [[{{PAGENAME}} (data page)#Spectral data|Spectral data]]
| [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} | Related compounds
|-
| Other [[Ion|anion]]s 
| {{{Other_anion}}} 
|-
| Other [[Ion|cation]]s 
| {{{Ohter_cation}}} 
|-
| Related compounds

| {{{Relative_Compounds}}}
|-
| {{chembox header}} | Except where noted otherwise, data are given for materials in their [[standard state|standard state (at 25 °C, 100 kPa)]] [[wikipedia:Chemical infobox|Infobox disclaimer and references]]
|-
|}
{{Chem-Data_Structure}}

It:projects

2007-10-22T14:35:32Z

Zy506: /* Supplemental Project Page */

__FORCETOC__

'''''You MUST use the Edit buttons on the right to edit this content. Do NOT use the Edit button on the top of this page.'''''
== Sandbox (Play-Pen) ==

This is an area where you can play without worrying what you do. Enter it by pressing the [Edit] button '''on the right''' and '''not''' at the top. Go here for a [http://en.wikipedia.org/wiki/Wikipedia:Cheatsheet ''cheat sheet''] summary of how to create a Wiki page. It's a free-for-all in here! Learn how to use a Wiki by coming here! PS This is how to do Greek:α, β Δ, δ
Try copying/pasting some of the [http://www.ch.ic.ac.uk/local/it/lab1.html examples in the course work] into this page. See the effect by selecting '''Show Preview'''. Do not use '''Save Page''' so as to leave this area uncluttered for others.
----
{| summary="CIT Project Titles" border="1"
|NEW: This demonstrates the use of Jmol loading discrete molecule files (rather than having to paste them into the wiki page). Upload the molecule file, and invoke it as shown here. Use it for eg loading large proteins etc.--[[User:Rzepa|Rzepa]] 16:07, 4 December 2006 (UTC) and --[[User:Rzepa|Rzepa]] 07:41, 16 October 2007 (BST) and --[[User:Rzepa|Rzepa]] 15:56, 18 October 2007 (BST)

If no rotatable molecule appears to the right, test that [http://www.java.com/en/download/help/testvm.xml Java] is correctly functioning on your system.

|<jmol>
<jmolApplet>
<title>Pentahelicene</title><color>yellow</color><size>200</size>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<uploadedFileContents>Pentahelicene.mol</uploadedFileContents>
</jmolApplet>
<jmolMenu>
<item><text>Start spinning</text><script>spin on</script></item>
<item><text>Stop spinning</text><script>spin off</script></item>
<menuHeight>-1</menuHeight>
</jmolMenu>
<jmolButton>
<script>console</script>
<text>open a console window</text>
</jmolButton>
</jmol>
<jmol><jmolAppletButton><title>Show CIYSIM.cif in popup window</title><color>cyan</color>
<uploadedFileContents>CIYSIM.cif</uploadedFileContents></jmolAppletButton>
</jmol>
|}

== Main Project Page ==
'''Please do not edit this page itself'''. Click on one of the titles to start editing.
{| summary="CIT Project Titles" border="1"
! bgcolor="cyan" |Project Number
! bgcolor="cyan" |General Keywords
|-
| bgcolor="#CCFF00" |01
| bgcolor="#CCFF00" | [[it07:Lignocaine|Lignocaine (used in dentistry as a "local")]]
|-
| bgcolor="#CCFF00" |02
| bgcolor="#66FF99" | [[it07:Piperine|Piperine (active ingredient of both black and white pepper)]]
|-
| bgcolor="#CCFF00" |03
| bgcolor="#CCFF00" | [[it07:Rapamycin|Rapamycin (prevents transplant rejection)]]
|-
| bgcolor="#CCFF00" |04
| bgcolor="#66FF99" | [[it07:Gossypol|Gossypol (male birth control)]]
|-
| bgcolor="#CCFF00" |05
| bgcolor="#CCFF00" | [[it07:Gentamycin|Gentamicin A (aminoglycoside antibiotic)]]
|-
| bgcolor="#CCFF00" |06
| bgcolor="#66FF99" | [[it07:Herceptin|Herceptin (topical anticancer drug)]]
|-
| bgcolor="#CCFF00" |07
| bgcolor="#CCFF00" | [[it07:Gingerone|Zingerone (the characteristic smell of ginger)]]
|-
| bgcolor="#CCFF00" |08
| bgcolor="#66FF99" | [[it07:Sucralose|Sucralose (non-metabolizable sweetening agent)]]
|-
| bgcolor="#CCFF00" |09
| bgcolor="#CCFF00" | [[it07:Bufotoxin|Bufotoxin (active component of the toad ''Bufo vulgaris'')]]
|-
| bgcolor="#CCFF00" |10
| bgcolor="#66FF99" | [[it07:Roaccutane|Roaccutane (treatment for severe acne)]]
|-
| bgcolor="#CCFF00" |11
| bgcolor="#CCFF00" | [[it07:Sibutramine|Sibutramine (appetite suppresor)]]
|-
| bgcolor="#CCFF00" |12
| bgcolor="#66FF99" | [[it07:Anandamide|Anandamide (the "feel-good" factor in chocolate)]]
|-
| bgcolor="#CCFF00" |13
| bgcolor="#CCFF00" | [[it07:h3nbh3|Ammonia-borane: H3N-BH3 (Hydrogen storage molecule?)]]
|-
| bgcolor="#CCFF00" |14
| bgcolor="#66FF99" | [[it07:Methoxsalen|Methoxsalen (Treatment of psoriasis)]]
|-
| bgcolor="#CCFF00" |15
| bgcolor="#CCFF00" | [[it07:Hycocine|Hyoscine (From Mandrake and Witches Henbane, pre-med before surgery)]]
|-
| bgcolor="#CCFF00" |16
| bgcolor="#66FF99" | [[it07:Capreomycin|Capreomycin (Drug-resistant TB)]]
|}

== Supplemental Project Page ==

This area is for people who wish to create their own projects if none of the above appeal to them. Click on the '''Edit''' button to the right to open up an editable page,
then add an entry below as follows

*<nowiki> [[it07:name_of_project|Descriptive name of intended project]]</nowiki>
*This will produce the effect: [[it07:name_of_project|Descriptive name of intended project]]
----
#[[it07:sitagliptin_page|An example entry- in edit mode, please copy this line and paste below to add to this list]]
#[[it07:name_of_project|Vitamin C ]]
#[[it07:Cylcophosphamide|Cyclophosphamide]]
#[[it07:Terbutaline Sulphate|Terbutaline Sulphate]]
#[[it07:Caffeine|Caffeine]]
#[[it07:Mefloquine|Mefloquine]]
#[[it07:Cadaverine|Cadaverine]]
#[[it07:Cyanidin|Cyanidin]]
#[[it07:Ezetimibe|Ezetimibe]]
#[[it07:Azadirachtin|Azadirachtin]]
#[[it07:Nicotine|Nicotine]]
#[[it07:Cyclopentasiloxane|Cyclopentasiloxane]]
#[[it07:Trinitrotoluene|Trinitrotoluene]]

== Wiki Utillities ==
Utilities have been written to help the conversion of material from HTML.
# [http://diberri.dyndns.org/wikipedia/html2wiki/ A HTML2Wiki Converter]
----

== Wiki Templates ==

[[Template:DOI]] and [[Template:Doi-inline]] are providea as (protected) templates for your use. Many other templates exist, often to be found on e.g. Wikipedia pages. You may decide one of these is of particular use, or of interest. If so, you can install it on the wiki here for you and others to use. Add below a line that looks like Template:Template-name, save, and click on the red text to create the new template. If you prefer the task of adding useful templates to that of adding information about molecules, then you will be given full credit for performing this valuable service for others! --Rzepa 14:41, 20 October 2006 (BST)

[[Template:Chem-Data]]

[[Template:Drug-Box]] - For pharmaceutical drugs just copy variable names and code generates tables

[[Template:Chembox supplement]] - to be linked to from the supplementary section of the table in the template above, for usage see [[Template_talk:chembox_supplement|here]]

[[Template:NFPA_704]] - for notes on how to use, see [[Template_talk:NFPA_704|here]]

[[R & S Phrases]]

[[Template:Chembox new]]