| Identification | More | [Name]
2-Chloromandelic acid | [CAS]
10421-85-9 | [Synonyms]
2-(2-CHLOROPHENYL)-2-HYDROXYACETIC ACID
2-CHLORO-ALPHA-HYDROXYBENZENEACETIC ACID
2-CHLOROMANDELIC ACID
DL-2-CHLOROMANDELIC ACID
o-chloromandelic acid
TIMTEC-BB SBB003705
2-Chloro-alpha-hydroxyphenylaceticacid
(2-chlorophenyl)glycolic acid
(n)-2-chloro-à-hydroxyphenylacetic acid
2-CHLORO MANDELIC ACID 98.5%
2-Chloro-α-hydroxyphenylacetic acid
(2-Chlorophenyl)hydroxyacetic acid
2-Chloro-a-hydroxybenzeneacetic acid
2-(2-Chlorophenyl)hydroxyacetic acid
2-Chloro-α-hydroxybenzeneacetic acid
α-Hydroxy-2-chlorobenzeneacetic acid | [EINECS(EC#)]
233-900-9 | [Molecular Formula]
C8H7ClO3 | [MDL Number]
MFCD00084962 | [Molecular Weight]
186.59 | [MOL File]
10421-85-9.mol |
| Chemical Properties | Back Directory | [Appearance]
White to pale cream crystalline powder | [Melting point ]
90-93 °C(lit.) | [Boiling point ]
266.91°C (rough estimate) | [density ]
1.3245 (rough estimate) | [refractive index ]
1.5250 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly, Sonicated), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
3.30±0.10(Predicted) | [color ]
White to pale cream | [Water Solubility ]
Very soluble in water. | [BRN ]
2367070 | [Stability:]
Hygroscopic | [InChI]
InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12) | [InChIKey]
RWOLDZZTBNYTMS-UHFFFAOYSA-N | [SMILES]
C(C1C=CC=CC=1Cl)(O)C(=O)O | [CAS DataBase Reference]
10421-85-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [HS Code ]
29181990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
White to pale cream crystalline powder | [Uses]
2-Chloromandelic acid, is used as a pharmaceutical intermediate as well as in the medicine industry. It is used as a intermediate of clopidrogrel. | [General Description]
2-Chloromandelic acid (2-ClMA) is a mandelic acid derivative. A report based on its solid state-NMR, X-ray powder diffraction (XPRD) and Fourier transform infrared spectroscopy (FTIR) data reveals that in solid state 2-ClMA exists as a racemic compound. The study also suggests that the crystals of racemic 2-ClMA belongs the monoclinic space group P21/c. The efficiency of (R)-(+)-N-benzyl-1-phenylethylamine in resolving racemate 2-ClMA has been investigated. | [Synthesis]
First, 150 mL of toluene was added to a flask equipped with a stirrer and an internal thermometer. Under stirring conditions, 0.09 g (0.08 x 10^-3 mol) of the (R,R)-VO salen complex from Example 1 and 21.1 g (0.15 mol) of freshly prepared 2-chlorobenzaldehyde were added sequentially. Subsequently, 10.1 g (0.375 mol) of hydrocyanic acid was added all at once. The resulting dark green homogeneous solution was stirred for 24 h at room temperature in a closed apparatus. The conversion was analyzed by gas chromatography (GC) to be 98% and the enantiomeric excess (ee) value of (S)-2-chloromandelate cyanohydrin was 73%. | [References]
[1] Patent: US2004/236129, 2004, A1. Location in patent: Page 4
[2] Patent: US2004/236129, 2004, A1. Location in patent: Page 4
[3] Patent: US2004/236129, 2004, A1. Location in patent: Page 4
[4] Patent: US2004/236129, 2004, A1. Location in patent: Page 4
[5] Patent: US2004/236129, 2004, A1. Location in patent: Page 4 |
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