ChemicalBook--->CAS DataBase List--->492-86-4

492-86-4

492-86-4 Structure

492-86-4 Structure
IdentificationMore
[Name]

4-Chloromandelic acid
[CAS]

492-86-4
[Synonyms]

4-CHLORO-ALPHA-HYDROXYPHENYLACETIC ACID
4-CHLORO-DL-MANDELIC ACID
4-CHLOROMANDELIC ACID
(4-CHLOROPHENYL)(HYDROXY)ACETIC ACID
D/L-4'-CHLOROMANDELIC ACID
D,L-HYDROXY-(4-CHLOROPHENYL)ACETIC ACID
DL-P-CHLORO MANDELIC ACID
P-CHLORO-DL-MANDELIC ACID
P-CHLOROMANDELIC ACID
TIMTEC-BB SBB008325
4-chloro-alpha-hydroxy-benzeneaceticaci
4-Chloro-hydroxyphenylaceticacid
p-chloro-phenylglycollicacid
4-Chloromandelic acid, Pract.
4-Chloro-a-hydroxyphenylacetic acid
4-Chloromandelicacid,98%
4-chloro-à-hydroxyphenylacetic acid
PARA-CHLOROMANDELICACID
4-Chloromandelic acid
(p-Chlorophenyl)hydroxyacetic acid
[EINECS(EC#)]

207-764-6
[Molecular Formula]

C8H7ClO3
[MDL Number]

MFCD00042724
[Molecular Weight]

186.59
[MOL File]

492-86-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystalline powder
[Melting point ]

114-118 °C
[Boiling point ]

266.91°C (rough estimate)
[density ]

1.3245 (rough estimate)
[refractive index ]

1.5250 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[pka]

3.14±0.10(Predicted)
[color ]

White to light yellow
[BRN ]

1567759
[InChI]

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

BWSFWXSSALIZAU-UHFFFAOYSA-N
[SMILES]

C(C1C=CC(Cl)=CC=1)(O)C(=O)O
[CAS DataBase Reference]

492-86-4(CAS DataBase Reference)
[EPA Substance Registry System]

492-86-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S22:Do not breathe dust .
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
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29181990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium bisulfite-->Carbon disulfide-->4'-Chloroacetophenone-->1,4-Dibromobenzene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chloro-alpha-hydroxyphenylacetic acid(492-86-4).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

4-?Chloromandelic acid has been used as a catalyst for Michael Addition of 2-?(1-?Ethylpropoxy)?acetaldehyde to N-?[(1Z)?-?2-?Nitroethenyl]?acetamide. As well, it has been used as a nucleation inhibitor for dutch resolution for diastereomers of racemic 3-?methoxyphenylethylamine with chiral mandelic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloromandelic acid(492-86-4)1HNMR
4-Chloromandelic acid(492-86-4)IR1
4-Chloromandelic acid(492-86-4)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chloromandelic acid, 95%(492-86-4)
[Alfa Aesar]

4-Chloromandelic acid, 98%(492-86-4)
[Sigma Aldrich]

492-86-4(sigmaaldrich)
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