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52950-18-2

52950-18-2 Structure

52950-18-2 Structure
IdentificationMore
[Name]

(R)-(-)-2-Chloromandelic acid
[CAS]

52950-18-2
[Synonyms]

2-CHLORO-D-MANDELIC ACID
2-CHLORO-MANDELIC ACID (R)
(R)-2-CHLORO-ALPHA-HYDROXYPHENYLACETIC ACID
(R)-(-)-2-CHLOROMANDELIC ACID
(R)-2-CHLOROMANDELIC ACID
(R)-(2-CHLORO-PHENYL)-HYDROXY-ACETIC ACID
(R)-ORTHO-CHLOROMANDELIC ACID
(R-chloromandelicacid)
(R)-(−
)-2-Chloromandelic acid
R-Chloromadelic acid
L-2-Chloromandelic
(r)-2-chloro-à-hydroxyphenylacetic acid
(R)-(-)-2-CHLOROMANDELIC ACID: CHIPROS 99%, EE 99%
(R)-(-)-2-CHLOROMANDELIC ACID 99%
(R )-(-)-2-chloromandellic acid
(R)-(-)-2-Chloromandelic acid, ChiPros 99+%, ee 99+%
(-)-o-Chloro-D-mandelic acid
(2R)-2-(2-Chlorophenyl)-2-hydroxyacetic acid
(R)-2-(2-Chlorophenyl)-2-hydroxyacetic acid
(R)-2-Hydroxy-2-(2-chlorophenyl)acetic acid
[EINECS(EC#)]

-0
[Molecular Formula]

C8H7ClO3
[MDL Number]

MFCD00798429
[Molecular Weight]

186.59
[MOL File]

52950-18-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

119-121 °C(lit.)
[alpha ]

-125 º (c=3, H2O)
[Boiling point ]

266.91°C (rough estimate)
[density ]

1.48
[vapor pressure ]

0Pa at 25℃
[refractive index ]

-124.5 ° (C=3, H2O)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Methanol
[form ]

Solid
[pka]

3.30±0.10(Predicted)
[color ]

Off-White
[Optical Rotation]

[α]23/D 126°, c = 3 in H2O
[BRN ]

2693370
[InChI]

1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
[InChIKey]

RWOLDZZTBNYTMS-SSDOTTSWSA-N
[SMILES]

O[C@@H](C(O)=O)c1ccccc1Cl
[LogP]

1.51 at 23℃
[Surface tension]

48.7mN/m at 1g/L and 20℃
[CAS DataBase Reference]

52950-18-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H317-H318
[Precautionary statements ]

P280-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xi,C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

29181990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

Clopidogrel intermediate.
[Synthesis]

HYDROGEN CYANIDE

74-90-8

2-Chlorobenzaldehyde

89-98-5

2-Chloromandelic acid

10421-85-9

Benzeneacetonitrile, 2-chloro-α-hydroxy-, (αS)-

52923-20-3

First, 150 mL of toluene was added to a flask equipped with a stirrer and an internal thermometer. Under constant stirring, 0.09 g (0.08 x 10^-3 mol) of the (R,R)-VO salen complex of 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
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(-)-2-Chloromandelic acid(52950-18-2)MS
(R)-(-)-2-Chloromandelic acid(52950-18-2)1HNMR
(R)-(-)-2-Chloromandelic acid(52950-18-2)IR1
(R)-(-)-2-Chloromandelic acid(52950-18-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(R)-(-)-2-Chloromandelic acid, 99%(52950-18-2)
[Alfa Aesar]

(R)-(-)-2-Chloromandelic acid, ChiPros 99+%, ee 99+%(52950-18-2)
[Sigma Aldrich]

52950-18-2(sigmaaldrich)
[TCI AMERICA]

2-Chloro-D-mandelic Acid,>98.0%(T)(52950-18-2)
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