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Revision as of 10:50, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477014233 of page Diethyl_ether for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 10:50, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477011586 of page Calcium_chloride for the Chem/Drugbox validation project (updated: 'ChEMBL').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
			\| Verifiedfields = changed
	\| verifiedrevid = ~~477003958~~		\| verifiedrevid = 476999722
	\| Name = Diethyl ether
			\| Name = Calcium chloride
	\| ImageFile1 = Diethyl-ether-2D-skeletal.svg
			\| ImageFile = Calcium chloride CaCl2.jpg
	\| ImageSize1 = 200px
			\| ImageFile2 = Hydrophilite.GIF
	\| ImageName1 = Skeletal formula
			\| ImageName = Calcium chloride
	\| ImageFile2 = Diethyl-ether-3D-balls.png
		⚫	\| IUPACName = Calcium chloride
	\| ImageSize2 = 200px
			\| OtherNames = Calcium(II) chloride,<br />Calcium dichloride,<br />E509
	\| ImageName2 = Ball-and-stick model
⚫	\| IUPACName = ~~Ethoxyethane~~
	\| OtherNames = Diethyl ether; Ethyl ether; Ethyl oxide; 3-Oxapentane; Ethoxyethane
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| ~~ChEBI_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChEBI~~ = ~~35702~~		\| ChemSpiderID = 23237
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| SMILES = CCOCC
		⚫	\| UNII = OFM21057LP
⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
⚫	\| UNII = ~~0F5N573A2Y~~
			\| ChEMBL = <!-- blanked - oldvalue: 1200668 -->
⚫	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}
			\| InChI = 1/Ca.2ClH/h;2*1H/q+2;;/p-2
	\| KEGG = D01772
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| InChI = 1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
			\| ChEBI = 3312
	\| InChIKey = RTZKZFJDLAIYFH-UHFFFAOYAB
	\| ~~ChEMBL_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}		\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| ~~ChEMBL~~ = ~~16264~~		\| DrugBank = DB01164
			\| SMILES = ..
			\| InChIKey = UXVMQQNJUSDDNG-NUQVWONBAG
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C4H10O~~/~~c1-3-5-4-~~2/h3-~~4H2,1-2H3~~		\| StdInChI = 1S/Ca.2ClH/h;2*1H/q+2;;/p-2
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~RTZKZFJDLAIYFH~~-UHFFFAOYSA-N		\| StdInChIKey = UXVMQQNJUSDDNG-UHFFFAOYSA-L
	\| CASNo = 60-29-7		\| CASNo = 10043-52-4
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CASOther = <br> {{CAS\|22691-02-7}} (monohydrate) <br> {{CAS\|10035-04-8}} (dihydrate) <br> {{CAS\|25094-02-4}} (tetrahydrate) <br> {{CAS\|7774-34-7}} (hexahydrate)
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~3168~~		\| PubChem = 24854
	\| ~~PubChem~~ = ~~3283~~		\| RTECS = EV9800000
	\| ~~RTECS~~ = ~~KI5775000~~		\| EINECS = 233-140-8
			\| ATCCode_prefix = A12
⚫	}}
			\| ATCCode_suffix = AA07
			\| ATC_Supplemental = {{ATC\|B05\|XA07}}, {{ATC\|G04\|BA03}}
		⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| Formula = CaCl<sub>2</sub>
	\| C=4\|H=10\|O=1
			\| IonicMass = 110.98 g/mol (anhydrous) <br> 128.999 g/mol (monohydrate) <br> 147.014 g/mol (dihydrate) <br> 183.045 g/mol (tetrahydrate) <br> 219.08 g/mol (hexahydrate)
	\| Appearance = Colorless liquid
			\| Appearance = white powder <br> ]
	\| Density = 0.7134 g/cm<sup>3</sup>, liquid
			\| Odor = odorless
	\| Solubility = 69 g/L (20 °C)
			\| Density = 2.15 g/cm<sup>3</sup> (anhydrous) <br/> 1.835 g/cm<sup>3</sup> (dihydrate)<br/> 1.83 g/cm<sup>3</sup> (tetrahydrate) <br> 1.71 g/cm<sup>3</sup> (hexahydrate)
	\| MeltingPt = −116.3 °C, 156.9 K, −177.3 °F
	\| ~~BoilingPt~~ = 34.~~6 ~~°C, ~~307~~.8 K, ~~94.3 ~~°F		\| Solubility = 74.5 g/100mL (20 °C) <br> 59.5 g/100 mL (0 °C)
			\| SolubleOther = soluble in ], ]
⚫	\| RefractIndex = 1.~~353 (20 °C)~~
			\| MeltingPt = 772 °C (anhydrous) <br> 260 °C (monohydrate) <br> 176 °C (dihydrate) <br> 45.5 °C (tetrahydrate) <br> 30 °C (hexahydrate) <ref>Pradyot Patnaik. ''Handbook of Inorganic Chemicals''. McGraw-Hill, 2002, ISBN 0-07-049439-8</ref>
	\| pKa =
			\| BoilingPt = 1935 °C (anhydrous)
	\| pKb =
			\| pKa = 8-9 (anhydrous) <br> 6.5-8.0 (hexahydrate)
	\| Viscosity = 0.224 ] (25 °C)
		⚫	\| RefractIndex = 1.52
	}}		}}
	\| Section3 = {{Chembox Structure		\| Section3 = {{Chembox Structure
			\| Coordination = ], 6-coordinate
	\| MolShape =
			\| CrystalStruct = ] (deformed ]), ] <br> ] (hexahydrate)
	\| Dipole = 1.15 ] (gas)
			\| SpaceGroup = Pnnm, No. 58
⚫	}}

		⚫	}}
	\| Section7 = {{Chembox Hazards		\| Section7 = {{Chembox Hazards
			\| EUClass = Irritant ('''Xi''')
	\| ExternalMSDS =
			\| EUIndex = 017-013-00-2
	\| MainHazards = Extremely Flammable (F+),<br> Harmful (Xn)
	\| NFPA-H = 2		\| NFPA-H = 2
	\| NFPA-F = 4		\| NFPA-F = 0
	\| NFPA-R = 1		\| NFPA-R = 1
			\| RPhrases = {{R36}}
	\| Autoignition = 160 °C<ref name="MSDS">{{cite web \| url = http://hazard.com/msds/mf/baker/baker/files/e2340.htm \| title = Ethyl Ether MSDS \| publisher = J.T. Baker \| accessdate = 2010-06-24}}</ref>
		⚫	\| SPhrases = {{S2}}, {{S22}}, {{S24}}
	\| FlashPt = −45 °C<ref name="MSDS"/>
			\| LD50 = 1000 mg/kg (oral, rat)
	\| RPhrases = {{R12}} {{R19}} {{R20}} {{R22}} {{R66}} {{R67}}
		⚫	}}
⚫	\| SPhrases = {{~~S9}} {{S16~~}} {{~~S29~~}} {{~~S33~~}}
⚫	}}
	\| Section8 = {{Chembox Related		\| Section8 = {{Chembox Related
			\| OtherAnions = ]<br/>]<br/>]
	\| Function = ]s
			\| OtherCations = ]<br/>]<br/>]<br/>]<br/>]
	\| OtherFunctn = ]<br>]
		⚫	}}
	\| OtherCpds = ]<br>]s (])
⚫	}}
	}}		}}

Revision as of 10:50, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 477011586 of page Calcium_chloride with values updated to verified values.

Calcium chloride
Names


IUPAC name Calcium chloride
Other names Calcium(II) chloride, Calcium dichloride, E509
Identifiers
CAS Number	10043-52-4
3D model (JSmol)	Interactive image
ChEBI	CHEBI:3312
ChemSpider	23237
DrugBank	DB01164
EC Number	233-140-8
PubChem CID	24854
RTECS number	EV9800000
UNII	OFM21057LP
InChI InChI=1S/Ca.2ClH/h;21H/q+2;;/p-2Key: UXVMQQNJUSDDNG-UHFFFAOYSA-L InChI=1/Ca.2ClH/h;21H/q+2;;/p-2Key: UXVMQQNJUSDDNG-NUQVWONBAG
SMILES ..
Properties
Chemical formula	CaCl₂
Appearance	white powder hygroscopic
Odor	odorless
Density	2.15 g/cm (anhydrous) 1.835 g/cm (dihydrate) 1.83 g/cm (tetrahydrate) 1.71 g/cm (hexahydrate)
Melting point	772 °C (anhydrous) 260 °C (monohydrate) 176 °C (dihydrate) 45.5 °C (tetrahydrate) 30 °C (hexahydrate)
Boiling point	1935 °C (anhydrous)
Solubility in water	74.5 g/100mL (20 °C) 59.5 g/100 mL (0 °C)
Solubility	soluble in acetone, acetic acid
Acidity (pK_a)	8-9 (anhydrous) 6.5-8.0 (hexahydrate)
Refractive index (n_D)	1.52
Structure
Crystal structure	Orthorhombic (deformed rutile), oP6 trigonal (hexahydrate)
Space group	Pnnm, No. 58
Coordination geometry	octahedral, 6-coordinate
Hazards
NFPA 704 (fire diamond)	2 0 1
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	1000 mg/kg (oral, rat)
Related compounds
Other anions	calcium fluoride calcium bromide calcium iodide
Other cations	Beryllium chloride Magnesium chloride Strontium chloride Barium chloride Radium chloride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound

Pradyot Patnaik. Handbook of Inorganic Chemicals. McGraw-Hill, 2002, ISBN 0-07-049439-8