ChemicalBook--->CAS DataBase List--->6640-09-1

6640-09-1

6640-09-1 Structure

6640-09-1 Structure
IdentificationMore
[Name]

5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID
[CAS]

6640-09-1
[Synonyms]

5-(BENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID
5-BENZYLOXY-2-INDOLE CARBOXYLIC ACID
5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID
AKOS JY2083314
BUTTPARK 95\04-36
1H-Indole-2-carboxylic acid, 5-(phenylmethoxy)-
5-BENZYLOXYL-1H-INDOLE-2-CARBOXYLICACID
[EINECS(EC#)]

229-652-6
[Molecular Formula]

C16H13NO3
[MDL Number]

MFCD00047165
[Molecular Weight]

267.28
[MOL File]

6640-09-1.mol
Chemical PropertiesBack Directory
[Melting point ]

192 °C
[Boiling point ]

531.1±35.0 °C(Predicted)
[density ]

1.342±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

4.37±0.30(Predicted)
[BRN ]

241643
[InChI]

InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)
[InChIKey]

MVCLSAMNMAWXFQ-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(OCC3=CC=CC=C3)C=C2)C=C1C(O)=O
[CAS DataBase Reference]

6640-09-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

5-(Benzyloxy)-1H-indole-2-carboxylic Acid is a potent type-2 specific inhibitor of human steroid 5α-reductase.
Spectrum DetailBack Directory
[Spectrum Detail]

5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID(6640-09-1)MS
5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID(6640-09-1)1HNMR
5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID(6640-09-1)IR1
5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID(6640-09-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-(Benzyloxy)-1H-indole-2-carboxylic acid, Tech.(6640-09-1)
[Alfa Aesar]

5-Benzyloxyindole-2-carboxylic acid, 97%(6640-09-1)
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