User:Calmkelp/sandbox: Difference between revisions

Phenylpyrazine
Names
	IUPAC name 2-phenylpyrazine
Identifiers
CAS Number	29460-97-7;
3D model (JSmol)	Interactive image;
ChemSpider	558054;
EC Number	882-355-9;
PubChem CID	642870;
UNII	EOX97B80PN;
	InChI InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-8H Key: LNJZJDLDXQQJSG-UHFFFAOYSA-N;
	SMILES C1=CC=C(C=C1)C2=NC=CN=C2;
Properties
Chemical formula	C10H8N2
Molar mass	156.18 g/mol
log P	2.06
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H302, H315, H318, H335
Precautionary statements	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

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Inline

Revision as of 06:08, 3 June 2024

^ Willighagen, E. L.; Denissen, H. M. G. W.; Wehrens, R.; Buydens, L. M. C. (2006-03-01). "On the Use of 1 H and 13 C 1D NMR Spectra as QSPR Descriptors". Journal of Chemical Information and Modeling. 46 (2): 487–494. doi:10.1021/ci050282s. ISSN 1549-9596.

@@ Line 14: / Line 14: @@
 | EINECS         =
 | EC_number      = 882-355-9
-| EC_number_Comment=
 | Gmelin         =
 | InChI          = InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-8H
@@ Line 35: / Line 34: @@
 | C = 10 | H = 8 | N = 2
 | HenryConstant  =
+| LogP           = 2.06<ref name="l850">{{cite journal | last=Willighagen | first=E. L. | last2=Denissen | first2=H. M. G. W. | last3=Wehrens | first3=R. | last4=Buydens | first4=L. M. C. | title=On the Use of 1 H and 13 C 1D NMR Spectra as QSPR Descriptors | journal=Journal of Chemical Information and Modeling | volume=46 | issue=2 | date=2006-03-01 | issn=1549-9596 | doi=10.1021/ci050282s | pages=487–494}}</ref>
-| LogP           =
 | MolarMass      = 156.18 g/mol
 | MeltingPt      =
@@ Line 68: / Line 67: @@
  }}
 }}
+==References==
+{{reflist}}