Sodium Diphenyl Reagent ExiPlus, Multi-Compendial

CAT: 0565-67516-01Size: 15 mLDry Ice: NoHazardous: No

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CAT#:0565-67516-01Size:15 mL

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Description

Part B

CAS Number

5137-46-2

UN Code

UN No.: 2920, IMCO Class No.: 8 (3), Packing Group: II

Storage Temperature

0 - 4°C

Chemical Information

Sodium biphenylide

CAS Number	5137-46-2
PubChem CID	21902233
IUPAC Name	sodium 1,1'-biphenyl
Molecular Formula	C12H10Na+
Molecular Weight	177.20
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	1
Complexity	100

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C12H10.Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-10H;/q;+1

InChIKey

QLLVPSHAMLXRFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5137-46-2

CID: 21902233

Formula: C12H10Na+

MW: 177.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.20
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	177.06801960
Monoisotopic Mass	177.06801960
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	1
Complexity	100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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