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Revision as of 19:58, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 462562684 of page Acetyldihydrocodeine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 19:58, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477027821 of page Acetylene for the Chem/Drugbox validation project (updated: '').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) 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.}}
{{Drugbox {{chembox
| Watchedfields = changed
| verifiedrevid = 447732511 | verifiedrevid = 443366794
| IUPAC_name = 3-methoxy-6-acetoxy-(5α,6α)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan
| Name = Acetylene
| image = Acetyldihydrocodeine.svg
| ImageFile = Acetylene-CRC-IR-dimensions-2D.png
| width = 200
| ImageSize = 150px

| ImageName = Acetylene
<!--Clinical data-->
| ImageFile1 = Acetylene-CRC-IR-3D-balls.png
| tradename =
| ImageSize1 = 150px
| Drugs.com = {{drugs.com|international|acetyldihydrocodeine}}
| ImageName1 = Acetylene
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| ImageFile2 = Acetylene-3D-vdW.png
| pregnancy_US = <!-- A / B / C / D / X -->
| ImageSize2 = 150px
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| ImageName2 = Acetylene - space-filling model
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| IUPACName = Acetylene
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| SystematicName = Ethyne<ref>, IUPAC Nomenclature of Organic Chemistry</ref>
| legal_US = Schedule I
| Section1 = {{Chembox Identifiers

⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
<!--Identifiers-->
⚫ | ChemSpiderID = 6086
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = <!-- blanked - oldvalue: 3861-72-1 -->
| ATC_prefix = R05
| ATC_suffix = DA12
| PubChem = 5463874
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB01538
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 21106249
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = SGY1T84P34 | UNII = OC7TV75O83
| KEGG_Ref = {{keggcite|correct|kegg}}

| KEGG = C01548
<!--Chemical data-->
| InChI = 1/C2H2/c1-2/h1-2H
| C=20 | H=25 | N=1 | O=4
| InChIKey = HSFWRNGVRCDJHI-UHFFFAOYAY
| molecular_weight = 343.417 g/mol
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| smiles = CC(=O)O1CC5C2Cc4ccc(OC)c3O15(CC2C)c34
| ChEMBL = 116336
| InChI = 1/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3/t13-,14?,16-,19-,20-/m0/s1
| InChIKey = LGGDXXJAGWBUSL-PQSIUIEHBT
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C2H2/c1-2/h1-2H
| StdInChI = 1S/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3/t13-,14?,16-,19-,20-/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = LGGDXXJAGWBUSL-PQSIUIEHSA-N | StdInChIKey = HSFWRNGVRCDJHI-UHFFFAOYSA-N
| CASNo = 74-86-2
| synonyms = Acetyldihydrocodeine, Dihydrothebacone, 6-acetyl-7,8-dihydrocodeine
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| UNNumber = ] (dissolved)<br/>] (in mixture with ] and ])
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 27518
| SMILES = C#C
}}
| Section2 = {{Chembox Properties
| C=2|H=2
| Density = 1.097 kg m<sup>−3</sup>
| MeltingPt = −80.8 °C, 192.4 K, −113.4 °F
| Melting_notes = ]
| BoilingPtC = −84
| Boiling_notes= subl.
| Adiabatic Flame Temperature (Air NTP) = 2,534 °C
| pKa = 25
}}
| Section3 = {{Chembox Structure
| MolShape = ]
}}
| Section4 = {{Chembox Thermochemistry
| DeltaHf = +226.88 kJ/mol
| Entropy = 201&nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup>
}}
| Section7 = {{Chembox Hazards
| EUClass =
| EUIndex =
| MainHazards =
| NFPA-H = 1
| NFPA-F = 4
| NFPA-R = 3
| NFPA-O =
}}
}} }}

Revision as of 19:58, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 477027821 of page Acetylene with values updated to verified values.
Acetylene
Acetylene
Acetylene
Acetylene - space-filling model
Names
IUPAC name Acetylene
Systematic IUPAC name Ethyne
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
KEGG
UNII
UN number 1001 (dissolved)
3138 (in mixture with ethylene and propylene)
InChI
  • InChI=1S/C2H2/c1-2/h1-2HKey: HSFWRNGVRCDJHI-UHFFFAOYSA-N
  • InChI=1/C2H2/c1-2/h1-2HKey: HSFWRNGVRCDJHI-UHFFFAOYAY
SMILES
  • C#C
Properties
Chemical formula C2H2
Molar mass 26.038 g·mol
Density 1.097 kg m
Melting point −80.8 °C, 192.4 K, −113.4 °F
Boiling point −84 °C (−119 °F; 189 K)
Acidity (pKa) 25
Structure
Molecular shape Linear
Thermochemistry
Std molar
entropy (S298) 		201 J·mol·K
Std enthalpy of
formation (ΔfH298) 		+226.88 kJ/mol
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 4: Will rapidly or completely vaporize at normal atmospheric pressure and temperature, or is readily dispersed in air and will burn readily. Flash point below 23 °C (73 °F). E.g. propaneInstability 3: Capable of detonation or explosive decomposition but requires a strong initiating source, must be heated under confinement before initiation, reacts explosively with water, or will detonate if severely shocked. E.g. hydrogen peroxideSpecial hazards (white): no code
1 4 3
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. Acyclic Hydrocarbons. Rule A-3. Unsaturated Compounds and Univalent Radicals, IUPAC Nomenclature of Organic Chemistry