ChemicalBook--->CAS DataBase List--->77-55-4

77-55-4

77-55-4 Structure

77-55-4 Structure
IdentificationMore
[Name]

1-Phenylcyclopentanecarboxylic acid
[CAS]

77-55-4
[Synonyms]

1-PHENYL-1-CYCLOPENTANECARBOXYLIC ACID
1-PHENYLCYCLOPENTANE-1-CARBOXYLIC ACID
1-PHENYLCYCLOPENTANECARBOXYLIC ACID
AKOS BC-0226
ASISCHEM D50957
PHENYLCYCLOPENTANECARBOXYLIC ACID
RARECHEM AL BO 1511
1-Phenyl-1-cyclopentanecarboxylic acid 99%
PHENYLCYCLOPENTANECARBOXLICACID
1-Phenylcyclopentylcarboxylic acid
[EINECS(EC#)]

201-037-7
[Molecular Formula]

C12H14O2
[MDL Number]

MFCD00001372
[Molecular Weight]

190.24
[MOL File]

77-55-4.mol
Chemical PropertiesBack Directory
[Appearance]

CREAM TO GREY-BROWN POWDER
[Melting point ]

159-161 °C(lit.)
[Boiling point ]

285.75°C (rough estimate)
[density ]

1.0486 (rough estimate)
[refractive index ]

1.4970 (estimate)
[storage temp. ]

2-8°C
[solubility ]

slightly sol. in Methanol
[form ]

Powder
[pka]

4.39±0.20(Predicted)
[color ]

Cream to gray-brown
[BRN ]

1638653
[InChI]

InChI=1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
[InChIKey]

RHPCYZLXNNRRMB-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=CC=C2)(C(O)=O)CCCC1
[CAS DataBase Reference]

77-55-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
[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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Diethyl ether-->Dichloromethane-->Potassium carbonate-->Magnesium sulfate-->Acetonitrile-->Sodium hydride-->1,4-Dioxane-->Dimethyl sulfoxide-->Benzeneacetonitrile-->Tetrabutylammonium bromide-->1,4-Dibromobutane-->1-Phenyl-1-cyclopentanecarbonitrile
[Preparation Products]

caramiphen hydrogen edisilate-->Pentoxyverine-->α-Phenylcyclopentanecarbonyl chloride-->1-Phenylcyclopentene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Phenylcyclopentanecarboxylic acid(77-55-4).msds
Hazard InformationBack Directory
[Chemical Properties]

CREAM TO GREY-BROWN POWDER
[Uses]

1-Phenyl-1-cyclopentanecarboxylic acid was used to prepare precursors required for solid phase synthesis of isoxazole and isoxazoline derivatives.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Phenylcyclopentanecarboxylic acid(77-55-4)MS
1-Phenylcyclopentanecarboxylic acid(77-55-4)1HNMR
1-Phenylcyclopentanecarboxylic acid(77-55-4)13CNMR
1-Phenylcyclopentanecarboxylic acid(77-55-4)IR1
1-Phenylcyclopentanecarboxylic acid(77-55-4)IR2
1-Phenylcyclopentanecarboxylic acid(77-55-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Phenylcyclopentanecarboxylic acid, 98%(77-55-4)
[Alfa Aesar]

1-Phenyl-1-cyclopentanecarboxylic acid, 98%(77-55-4)
[Sigma Aldrich]

77-55-4(sigmaaldrich)
[TCI AMERICA]

1-Phenyl-1-cyclopentanecarboxylic Acid,>98.0%(GC)(T)(77-55-4)
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