(Difference between pages)

Page 1

Page 1Revision 1

Page 2

Page 2Revision 2

Content deleted Content addedVisualWikitext

Revision as of 13:52, 31 January 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: ChEMBL.		Latest revision as of 20:32, 14 January 2024 edit Citation bot (talk | contribs)Bots5,424,539 edits Add: pages, volume, journal, date, title, authors 1-2. | Use this bot. Report bugs. | Suggested by Innerstream | #UCB_webform
Line 1:		Line 1:
	{{chembox		{{chembox
			| Watchedfields = changed
	| verifiedrevid = 400834720		| verifiedrevid = 411162742
	| Name = Methyl benzoate
			| Name = 1,4-Diisocyanobutane
	| ImageFile = Methyl benzoate.png
			| ImageFile1 = Diisocyanobutane.svg
	| ImageSize = 150px
			| ImageSize1 = 200px
	| ImageName = Methyl benzoate
			| ImageFileR1 = 1,4-diisocyanobutane-space-filling.png
	| IUPACName = Methyl benzoate
			| ImageSizeR1 = 100px
⚫	| Section1 = {{Chembox Identifiers
			| ImageNameR1 = 1,4-diisocyanobutane
⚫	| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
			| ImageFileL1 = 1,4-diisocyanobutane-ball-and-stick.png
⚫	| ChemSpiderID = 6883
	| PubChem = 7150		| ImageSizeL2 = 150px
			| ImageNameL2 = 3D model of 1,4-diisocyanobutane
	| UNII_Ref = {{fdacite|correct|FDA}}
			| PIN = 1,4-diisocyanobutane
	| UNII = 6618K1VJ9T
			| SystematicName = 1,4-diisocyanobutane
⚫	| InChI = 1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
		⚫	|Section1={{Chembox Identifiers
	| InChIKey = QPJVMBTYPHYUOC-UHFFFAOYAK
		⚫	| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
	| ChEMBL = 16435
		⚫	| ChemSpiderID = 3442746
			| PubChem = 4233940
		⚫	| InChI = 1S/C6H8N2/c1-7-5-3-4-6-8-2/h3-6H2
			| InChIKey = SEIOPNFVJBEBMP-UHFFFAOYSA-N
	| StdInChI_Ref = {{stdinchicite|correct|chemspider}}		| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
	| StdInChI = 1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3		| StdInChI = 1S/C6H8N2/c1-7-5-3-4-6-8-2/h3-6H2
	| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}		| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
	| StdInChIKey = QPJVMBTYPHYUOC-UHFFFAOYSA-N		| StdInChIKey = SEIOPNFVJBEBMP-UHFFFAOYSA-N
	| CASNo = 93-58-3		| CASNo = 929-25-9
	| CASNo_Ref = {{cascite|correct|CAS}}		| CASNo_Ref = {{cascite|correct|CAS}}
	| SMILES = O=C(OC)c1ccccc1		| SMILES = #CCCC#
	}}		}}
	| Section2 = {{Chembox Properties		|Section2={{Chembox Properties
	| C=8|H=8|O=2		| C=6 | H=8 | N=2
		⚫	}}
	| Density = 1.0837 g/cm³
		⚫	|Section7={{Chembox Hazards
	| RefractIndex = 1.5164
			| GHSPictograms = {{GHS skull and crossbones}}<ref name=PubChem>{{Cite web |last=PubChem |title=1,4-Diisocyanobutane |url=https://pubchem.ncbi.nlm.nih.gov/compound/4233940 |access-date=2022-07-29 |website=pubchem.ncbi.nlm.nih.gov |language=en}}</ref>
	| MeltingPtC = -12.5
			| GHSSignalWord = Danger<ref name=PubChem/>
	| BoilingPtC = 199.6}}
			| HPhrases = {{H-phrases|301|311|331}}<ref name=PubChem/>
⚫	| Section7 = {{Chembox Hazards
			| PPhrases = {{P-phrases|261|264|270|271|280|301+316|302+352|304+340|316|321|330|361+364|403+233|405|501}}<ref name=PubChem/>
	| ExternalMSDS =
			}}
	| NFPA-H = 0
		⚫	|Section8={{Chembox Related
	| NFPA-F = 2
			| OtherCompounds = {{ubl|]}}
	| NFPA-R = 0
	| FlashPt = 82 °C
⚫	}}
⚫	| Section8 = {{Chembox Related
	| OtherCpds = ]<br/>]
	}}		}}
	}}		}}
			'''1,4-Diisocyanobutane''' is an ]. Its ] is CN(CH<sub>2</sub>)<sub>4</sub>NC, which similar to ] but with ] and ] of ] groups switching places. It has been used as a ligand in the formation of organometallic complexes, such as with ] - <sup>2+</sup>.<ref>{{cite journal | doi = 10.1016/S0022-328X(00)87800-6 | title = Dinuclear complexes of rhodium(I) containing diisocyanide ligands and some of their phosphine derivatives | date = 1979 | last1 = Yaneff | first1 = P.V. | last2 = Powell | first2 = J. | journal = Journal of Organometallic Chemistry | volume = 179 | pages = 101–113 }}</ref>
	'''Methyl benzoate''' is an ] with the ] C<sub>6</sub>H<sub>5</sub>COOCH<sub>3</sub>. It is formed by the condensation of ] and ], in presence of a strong acid such as ].<ref>{{cite book |title=Organic Chemistry, 7th Edition|publisher =Thompson - Brooks/Cole|author = John McMurry|date =2008 |isbn=1439049726}}. Page 623</ref> It is a colorless liquid that is poorly soluble in water, but miscible with organic ].
	==Reactions==
	Methyl benzoate undergoes reactions both at the ring and the ester. Illustrative of its ability to undergo ], methyl benzoate undergoes ] with ] in the presence of ] to give methyl ]. Methyl benzoate also undergoes ] with addition of aqueous ] to give methanol and ], which can be acidified with aqueous ] to form ].
	==Odor==
	Methyl benzoate has a pleasant smell, strongly reminiscent of the fruit of the ] tree, and it is used in perfumery. It also finds use as a ] and as a ] used to attract insects. It is one of many compounds that is attractive to males of various species of ]s, which apparently gather the chemical to synthesize pheromones; it is commonly used as bait to attract and collect these bees for study.<ref>{{cite journal | author = Schiestl, F.P.; Roubik, D.W. | year = 2003 | title = Odor Compound Detection in Male Euglossine Bees | journal = ] | volume = 29 | pages = 253–257 | doi = 10.1023/A:1021932131526}}</ref> ] ] hydrolyzes in moist air to give methyl benzoate;<ref>{{cite journal | doi = 10.1117/12.266783 | title = Formation of methyl benzoate from cocaine hydrochloride under different temperatures and humidities | year = 1997 | author = Dejarme, Lindy E. | volume = 2937 | pages = 19}}</ref> ]s are thus trained to detect the smell of methyl benzoate.<ref>{{cite journal | doi = 10.1117/12.266775 | title = Canine olfactory sensitivity to cocaine hydrochloride and methyl benzoate | year = 1997 | author = Waggoner, L. Paul | volume = 2937 | pages = 216}}</ref>
	==References==		== References ==
	<references/>		<references />
			{{organic-compound-stub}}
⚫	]
	]
	]
			{{DEFAULTSORT:Diisocyanobutane, 1,4-}}
	]
		⚫	]
	]
	]
	]
	]
	]
	]