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2217-82-5

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Basic Information
CAS No.: 2217-82-5
Name: sodium [1,1'-biphenyl]-4-sulphonate
Article Data: 1
Molecular Structure:
Molecular Structure of 2217-82-5 (sodium [1,1'-biphenyl]-4-sulphonate)
Formula: C12H10 O3 S . Na
Molecular Weight: 256.257
Synonyms: 4-Biphenylsulfonicacid, sodium salt (8CI); [1,1'-Biphenyl]-4-sulfonic acid, sodium salt (9CI);Sodium 4-biphenylsulfonate; Sodium p-biphenylsulfonate
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by parenteral route. When heated to decomposition it emits toxic vapors of SOx and NaO.
PSA: 62.75000
LogP: 3.68110
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Chemistry

Molecule structure of Sodium p-biphenylsulfonate (CAS NO.2217-82-5) :

IUPAC Name: sodium 4-phenylbenzenesulfonate 
Molecular Weight: 256.25283 g/mol
Molecular Formula: C12H9NaO3S
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 256.01701
MonoIsotopic Mass: 256.01701
Topological Polar Surface Area: 57.2
Heavy Atom Count: 17
Complexity: 309
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C12H10O3S.Na/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H,13,14,15);/q;+1/p-1
InChIKey: HZHAYUNJXPYUHH-UHFFFAOYSA-M
EINECS: 218-717-4

Toxicity Data With Reference

1.    

par-mus LDLo:720 mg/kg

     CBCCT*    “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 7 (1955),687.

Safety Profile

Moderately toxic by parenteral route. When heated to decomposition it emits toxic vapors of SOx and NaO.

Specification

 Sodium p-biphenylsulfonate (CAS NO.2217-82-5) is also called AI3-15411 ; NSC 71394 ; Sodium 4-biphenylsulfonate ;
(1,1'-Biphenyl)-4-sulfonic acid, sodium salt ; 4-Biphenylsulfonic acid, sodium salt ; Sodium (1,1'-biphenyl)-4-sulphonate . Sodium p-biphenylsulfonate (CAS NO.2217-82-5) is moderate toxic. It is flammable. It will produce sodium oxide, sulfur oxide fumes spicy boost when buring. So the storage environment should be ventilate, low-temperature and dry.