10421-85-9,MFCD00084962
Catalog No.:AA003GZT

10421-85-9 | 2-Chloromandelic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$7.00   $5.00
- +
25g
97%
in stock  
$10.00   $7.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003GZT
Chemical Name:
2-Chloromandelic acid
CAS Number:
10421-85-9
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00084962
SMILES:
OC(=O)C(c1ccccc1Cl)O
NSC Number:
31401
Properties
Properties
 
BP:
350.3°C at 760 mmHg  
Form:
Solid  
MP:
90-93 °C(lit.)  
Refractive Index:
1.5250 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
172  
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:
1.5  

Literature

Title: Efficient production of (R)-o-chloromandelic acid by deracemization of o-chloromandelonitrile with a new nitrilase mined from Labrenzia aggregata.

Journal: Applied microbiology and biotechnology 20120701

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: Preparation of (R)-(-)-mandelic acid and its derivatives from racemates by enantioselective degradation with a newly isolated bacterial strain Alcaligenes sp. ECU0401.

Journal: Bioprocess and biosystems engineering 20080801

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SDS
Tags:10421-85-9 Molecular Formula|10421-85-9 MDL|10421-85-9 SMILES|10421-85-9 2-Chloromandelic acid
Catalog No.: AA003GZT
10421-85-9,MFCD00084962
10421-85-9 | 2-Chloromandelic acid
Pack Size: 5g
Purity: 97%
in stock
$7.00 $5.00
Pack Size: 25g
Purity: 97%
in stock
$10.00 $7.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA003GZT
Chemical Name: 2-Chloromandelic acid
CAS Number: 10421-85-9
Molecular Formula: C8H7ClO3
Molecular Weight: 186.5924
MDL Number: MFCD00084962
SMILES: OC(=O)C(c1ccccc1Cl)O
NSC Number: 31401
Properties
BP: 350.3°C at 760 mmHg  
Form: Solid  
MP: 90-93 °C(lit.)  
Refractive Index: 1.5250 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 172  
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: 1.5  
Literature fold

Title: Efficient production of (R)-o-chloromandelic acid by deracemization of o-chloromandelonitrile with a new nitrilase mined from Labrenzia aggregata.

Journal: Applied microbiology and biotechnology20120701

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

Journal: Chirality20120501

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 sciences20090501

Title: Preparation of (R)-(-)-mandelic acid and its derivatives from racemates by enantioselective degradation with a newly isolated bacterial strain Alcaligenes sp. ECU0401.

Journal: Bioprocess and biosystems engineering20080801

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