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52950-18-2,MFCD00798429
Catalog No.:AA003BZY

52950-18-2 | (R)-(-)-2-Chloromandelic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
25g
98%
in stock  
$13.00   $9.00
- +
100g
98%
in stock  
$46.00   $32.00
- +
500g
98%
in stock  
$209.00   $146.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003BZY
Chemical Name:
(R)-(-)-2-Chloromandelic acid
CAS Number:
52950-18-2
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00798429
SMILES:
OC(=O)[C@@H](c1ccccc1Cl)O
Properties
Properties
 
BP:
350.3°C at 760 mmHg  
Form:
Solid  
MP:
119-121 °C(lit.)  
Refractive Index:
-124.5 ° (C=3, H2O)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
172  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MSNLABORATORIESPRIVATELIMITED-WO2021/79380,2021,A1

[2]CurrentPatentAssignee:MSNLABORATORIESPRIVATELIMITED-WO2021/79380,2021,A1

Literature

Title: Resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine: chiral discrimination mechanism.

Journal: Chirality 20120501

Title: The isolation of a metastable conglomerate using a combined computational and controlled crystallization approach.

Journal: Chemical communications (Cambridge, England) 20120214

Title: Identification and characterization of solid-state nature of 2-chloromandelic acid.

Journal: Journal of pharmaceutical sciences 20090501

Title: The absorption, metabolism, and excretion of the novel neuromodulator RWJ-333369 (1,2-ethanediol, [1-2-chlorophenyl]-, 2-carbamate, [S]-) in humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20070401

Title: Metabolism and excretion of RWJ-333369 [1,2-ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (S)-] in mice, rats, rabbits, and dogs.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20070401

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SDS
Tags:52950-18-2 Molecular Formula|52950-18-2 MDL|52950-18-2 SMILES|52950-18-2 (R)-(-)-2-Chloromandelic acid