Cas no 27018-76-4 (1-benzyl-1H-indole-3-carboxylic acid)
27018-76-4 structure
Product Name:1-benzyl-1H-indole-3-carboxylic acid
CAS No:27018-76-4
MF:C16H13NO2
MW:251.279924154282
MDL:MFCD00057094
CID:53057
PubChem ID:33671
Update Time:2025-04-18
1-benzyl-1H-indole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-Benzylindole-3-carboxylic acid
- 1-Benzyl-1H-indole-3-carboxylic acid
- 1-(phenylmethyl)-1H-indole-3-carboxylic acid
- 1-benzyl-indole-3-carboxylic acid
- INDOLE-3-CARBOXYLIC ACID,1-BENZYL
- N-benzylindole-3-carboxylic acid
- 1H-Indole-3-carboxylic acid, 1-(phenylmethyl)-
- INDOLE-3-CARBOXYLIC ACID, 1-BENZYL-
- LVYDDRHDOKXFMW-UHFFFAOYSA-N
- PubChem7313
- CBMicro_033327
- Cambridge id 5791025
- Oprea1_193229
- 1-benzylindol-3-carboxylic acid
- HMS1773G10
- EN300-18367
- B-1200
- 1-benzylindole-3-carboxylate
- BRN 0404957
- BIM-0033291.P001
- MFCD00057094
- 1-Benzyl-1H-indole-3-carboxylicacid
- 27018-76-4
- CS-W014620
- DTXSID60181506
- AKOS000263090
- Z57912649
- FT-0638659
- SCHEMBL1606606
- 9T-1504
- 5-22-03-00037 (Beilstein Handbook Reference)
- CHEMBL1775161
- A818840
- ALBB-028524
- STK721129
- DB-047129
- BBL035732
- 1-benzyl-1H-indole-3-carboxylic acid
-
- MDL： MFCD00057094
- Inchi： 1S/C16H13NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2,(H,18,19)
- InChI Key： LVYDDRHDOKXFMW-UHFFFAOYSA-N
- SMILES： OC(C1=CN(CC2C=CC=CC=2)C2C=CC=CC=21)=O
- BRN： 0404957
Computed Properties
- Exact Mass: 251.09500
- Monoisotopic Mass: 251.094629
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.2
- XLogP3: 3.1
Experimental Properties
- Color/Form: No data available
- Density: 1.2±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 496.3±28.0 °C at 760 mmHg
- Flash Point: 254.0±24.0 °C
- PSA: 42.23000
- LogP: 3.38780
- Vapor Pressure: 0.0±1.3 mmHg at 25°C
1-benzyl-1H-indole-3-carboxylic acid Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Safety Instruction： H303+H313+H333
- RTECS：NL5995800
- Storage Condition：?20°C
1-benzyl-1H-indole-3-carboxylic acid Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-benzyl-1H-indole-3-carboxylic acid Pricemore >>
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|---|---|---|---|---|---|---|---|---|
| Alichem | A199008067-5g |
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27018-76-4 | 95% | 5g |
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| TRC | B194848-250mg |
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| TRC | B194848-500mg |
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1-benzyl-1H-indole-3-carboxylic acid Related Literature
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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