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4688-40-8

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Basic Information
CAS No.: 4688-40-8
Name: sodium benzyl sulfate
Article Data: 1
Molecular Structure:
Molecular Structure of 4688-40-8 (sodium benzyl sulfate)
Formula: C7H7O4S•Na
Molecular Weight: 210.186
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of SOx.
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    sodium benzyl sulfate

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Chemistry

Molecule structure of Sodium benzyl alcohol sulfate (CAS NO.4688-40-8) :

IUPAC Name: sodium benzyl sulfate 
Molecular Weight: 210.18285 g/mol
Molecular Formula: C7H7NaO4S
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Exact Mass: 209.996274
MonoIsotopic Mass: 209.996274
Topological Polar Surface Area: 66.4
Heavy Atom Count: 13
Complexity: 215
Canonical SMILES: C1=CC=C(C=C1)COS(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C7H8O4S.Na/c8-12(9,10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,8,9,10);/q;+1/p-1
InChIKey of Sodium benzyl alcohol sulfate (CAS NO.4688-40-8) : OJAYTEFYSMCCDQ-UHFFFAOYSA-M

Toxicity Data With Reference

1.    

mic-sat 50 µmol/plate

     SCIEAS    Science. 215 (1982),403.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of SOx.

Specification

 Sodium benzyl alcohol sulfate (CAS NO.4688-40-8) is also called Benzyl alcohol, sulfate (ester), sodium salt ; Benzyl sodium sulfate (7CI) ; Sulfuric acid, mono(phenylmethyl) ester, sodium salt (9CI) ; Sulfuric acid, monobenzyl ester, sodium salt (8CI) .