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76-93-7

76-93-7 Structure

76-93-7 Structure
IdentificationMore
[Name]

Benzilic acid
[CAS]

76-93-7
[Synonyms]

2,2-DIPHENYL-2-HYDROXY ACETATE
BENZILIC ACID
DIPHENYLGLYCOLIC ACID
HYDROXY-DIPHENYL-ACETIC ACID
TIMTEC-BB SBB003299
.alpha.-hydroxy-.alpha.-phenyl-Benzeneaceticacid
2,2-Diphenyl-2-hydroxyacetic acid
2-Hydroxy-2,2-diphenylacetic acid
2-Hydroxy-2,2-diphenylaceticacid
a,a-Diphenyl-a-hydroxyacetic acid
a,a-Diphenylglycolic acid
Acide diphenylhydroxyacetique
acidediphenylhydroxyacetique
a-Hydroxy-2,2-diphenylacetic acid
a-Hydroxy-a-phenylbenzeneacetic acid
a-Hydroxydiphenylacetic acid
alpha,alpha-Diphenyl-alpha-hydroxyacetic acid
alpha,alpha-Diphenylglycolic acid
alpha,alpha-diphenylglycolicacid
alpha-Hydroxy-2,2-diphenylacetic acid
[EINECS(EC#)]

200-993-2
[Molecular Formula]

C14H12O3
[MDL Number]

MFCD00004447
[Molecular Weight]

228.24
[MOL File]

76-93-7.mol
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

149-151 °C(lit.)
[Boiling point ]

180 °C
[density ]

1.28
[refractive index ]

1.5805 (estimate)
[Fp ]

180°C/22mm
[storage temp. ]

Store below +30°C.
[solubility ]

1.41g/l (experimental)
[form ]

Powder
[pka]

pKa (25°): 3.036
[color ]

White to cream-white
[Stability:]

Stable. Incompatible with strong oxidizing agents. Combustible.
[Water Solubility ]

1.41 g/L (25 ºC)
[Merck ]

14,1080
[BRN ]

521402
[LogP]

2.300
[CAS DataBase Reference]

76-93-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-(76-93-7)
[EPA Substance Registry System]

76-93-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

DD2064000
[TSCA ]

Yes
[HS Code ]

29181980
[Hazardous Substances Data]

76-93-7(Hazardous Substances Data)
[Toxicity]

LD50 orl-mus: 2 g/kg AIPTAK 116,154,58
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium bromate-->Benzil
[Preparation Products]

Methyl benzilate-->2,2-Diphenylacetic acid-->BENACTYZINE HYDROCHLORIDE-->Bromopropylate-->Methylbenactyzine bromide-->1,2-BENZENEDISULFONYL DICHLORIDE-->Methyl cyclohexylphenylglycolate-->9-Carboxyfluorene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Hydroxy-2,2-diphenylacetic acid(76-93-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Uses]

Benzilic Acid is an impurity of Trospium (T892800), a tropine derivative with anticholinergic activity and a antiispasmodic agent.
[Definition]

ChEBI: Benzilic acid is a 2-hydroxy monocarboxylic acid.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 29, p. 1631, 1964 DOI: 10.1021/jo01029a509
[Safety Profile]

Moderately toxic by subcutaneousroute. Slightly toxic by ingestion. When heated todecomposition it emits acrid smoke and irritating vapors.
[Purification Methods]

Crystallise benzilic acid from *benzene (ca 6mL/g), or hot H2O. [Beilstein 10 IV 1256.]
Spectrum DetailBack Directory
[Spectrum Detail]

Benzilic acid(76-93-7)MS
Benzilic acid(76-93-7)1HNMR
Benzilic acid(76-93-7)13CNMR
Benzilic acid(76-93-7)IR1
Benzilic acid(76-93-7)IR2
Benzilic acid(76-93-7)Raman
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