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492-86-4,MFCD00042724
Catalog No.:AA003L4O

492-86-4 | 4-Chloromandelic acid

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  
$19.00   $13.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003L4O
Chemical Name:
4-Chloromandelic acid
CAS Number:
492-86-4
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00042724
SMILES:
OC(c1ccc(cc1)Cl)C(=O)O
Properties
Properties
 
BP:
361.4°C at 760 mmHg  
Form:
Solid  
MP:
114-118 °C  
Refractive Index:
1.5250 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
164  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1974,vol.17,p.34-41

[2]ChemicalCommunications,2013,vol.49,p.10706-10708

[3]ChemMedChem,2015,vol.10,p.555-565

[4]AppliedBiochemistryandBiotechnology,2018,p.1-13

[1]JournalofOrganicChemistry,2003,vol.68,p.7234-7242

[1]TetrahedronAsymmetry,2009,vol.20,p.2704-2708

[2]Chirality,2017,vol.29,p.708-715

[3]Chirality,2018,vol.30,p.1245-1256

[1]ChemicalCommunications,2013,vol.49,p.10706-10708

[2]ChemicalCommunications,2015,vol.51,p.12328-12331

[1]ChemicalCommunications,2014,vol.50,p.15987-15990

[2]AdvancedSynthesisandCatalysis,2017,vol.359,p.3665-3673

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:492-86-4 Molecular Formula|492-86-4 MDL|492-86-4 SMILES|492-86-4 4-Chloromandelic acid
Catalog No.: AA003L4O
492-86-4,MFCD00042724
492-86-4 | 4-Chloromandelic acid
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
$19.00 $13.00
Quantity
- +
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Technical Information
Catalog Number: AA003L4O
Chemical Name: 4-Chloromandelic acid
CAS Number: 492-86-4
Molecular Formula: C8H7ClO3
Molecular Weight: 186.5924
MDL Number: MFCD00042724
SMILES: OC(c1ccc(cc1)Cl)C(=O)O
Properties
BP: 361.4°C at 760 mmHg  
Form: Solid  
MP: 114-118 °C  
Refractive Index: 1.5250 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 164  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Downstream Synthesis Route
7138-34-3    492-86-4 

[1]JournalofMedicinalChemistry,1974,vol.17,p.34-41

[2]ChemicalCommunications,2013,vol.49,p.10706-10708

[3]ChemMedChem,2015,vol.10,p.555-565

[4]AppliedBiochemistryandBiotechnology,2018,p.1-13

7138-34-3    492-86-4    74-11-3 

[1]JournalofOrganicChemistry,2003,vol.68,p.7234-7242

7138-34-3    492-86-4    76496-63-4 

[1]TetrahedronAsymmetry,2009,vol.20,p.2704-2708

[2]Chirality,2017,vol.29,p.708-715

[3]Chirality,2018,vol.30,p.1245-1256

7099-88-9    492-86-4 

[1]ChemicalCommunications,2013,vol.49,p.10706-10708

[2]ChemicalCommunications,2015,vol.51,p.12328-12331

7099-88-9    492-86-4    76496-63-4 

[1]ChemicalCommunications,2014,vol.50,p.15987-15990

[2]AdvancedSynthesisandCatalysis,2017,vol.359,p.3665-3673

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