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80-18-2,MFCD00014737
Catalog No.:AA00355T

80-18-2 | Methyl Benzenesulfonate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$8.00   $6.00
- +
25g
98%
in stock  
$11.00   $8.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00355T
Chemical Name:
Methyl Benzenesulfonate
CAS Number:
80-18-2
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD00014737
SMILES:
COS(=O)(=O)c1ccccc1
NSC Number:
3214
Properties
Properties
 
BP:
147-150°C 13mm  
Form:
Liquid  
MP:
-4 °C  
Refractive Index:
1.514-1.516  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
196  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
1.2  

Literature

Title: Molecular structure and vibrational investigation of benzenesulfonic acid methyl ester using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) theory calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110101

Title: Correlation analyses for bimolecular nucleophilic substitution reactions of chloroacetanilide herbicides and their structural analogs with environmentally relevant nucleophiles.

Journal: Environmental toxicology and chemistry 20051001

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SDS
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Tags:80-18-2 Molecular Formula|80-18-2 MDL|80-18-2 SMILES|80-18-2 Methyl Benzenesulfonate
Catalog No.: AA00355T
80-18-2,MFCD00014737
80-18-2 | Methyl Benzenesulfonate
Pack Size： 5g
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 10g
Purity： 98%
in stock
$8.00 $6.00
Pack Size： 25g
Purity： 98%
in stock
$11.00 $8.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA00355T
Chemical Name: Methyl Benzenesulfonate
CAS Number: 80-18-2
Molecular Formula: C7H8O3S
Molecular Weight: 172.2016
MDL Number: MFCD00014737
SMILES: COS(=O)(=O)c1ccccc1
NSC Number: 3214
Properties
BP: 147-150°C 13mm  
Form: Liquid  
MP: -4 °C  
Refractive Index: 1.514-1.516  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 196  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Rotatable Bond Count: 2  
XLogP3: 1.2  
Literature fold

Title: Molecular structure and vibrational investigation of benzenesulfonic acid methyl ester using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) theory calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20110101

Title: Correlation analyses for bimolecular nucleophilic substitution reactions of chloroacetanilide herbicides and their structural analogs with environmentally relevant nucleophiles.

Journal: Environmental toxicology and chemistry20051001

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