-
Name
5-BENZYLOXYINDOLE-3-ACETIC ACID
- EINECS
- CAS No. 4382-53-0
- Article Data7
- CAS DataBase
- Density 1.314 g/cm3
- Solubility
- Melting Point 147-149 °C(Solv: ethanol, 50% (64-17-5))
- Formula C17H15NO3
- Boiling Point 533.199 °C at 760 mmHg
- Molecular Weight 281.311
- Flash Point 276.269 °C
- Transport Information
- Appearance
- Safety 26
- Risk Codes 36/38
-
Molecular Structure
- Hazard Symbols Xi
- Synonyms Indole-3-aceticacid, 5-(benzyloxy)- (6CI,7CI,8CI);(5-Benzyloxy-1H-indol-3-yl)acetic acid;2-(5-Benzyloxy-1H-indol-3-yl)acetic acid;NSC 68361;
- PSA 62.32000
- LogP 3.37400
5-Benzyloxyindole-3-acetic acid Chemical Properties
Molecular Structure of 5-Benzyloxyindole-3-acetic acid (CAS No.4382-53-0):
Molecular Formula: C17H15NO3
Molecular Weight: 281.3059
CAS No: 4382-53-0
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 40.46 Å2
Index of Refraction: 1.679
Molar Refractivity: 80.8 cm3
Molar Volume: 214 cm3
Surface Tension: 60.9 dyne/cm
Density: 1.314 g/cm3
Flash Point: 276.3 °C
Enthalpy of Vaporization: 85.17 kJ/mol
Boiling Point: 533.2 °C at 760 mmHg
Vapour Pressure: 3.37E-12 mmHg at 25°C
IUPAC Name: 2-(5-Phenylmethoxy-1H-indol-3-yl)acetic acid
InChI: InChI=1/C17H15NO3/c19-17(20)8-13-10-18-16-7-6-14(9-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20)
InChIKey: GKIOPUYLJUOZHJ-UHFFFAOYAL
Std. InChI: InChI=1S/C17H15NO3/c19-17(20)8-13-10-18-16-7-6-14(9-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20)
Std. InChIKey: GKIOPUYLJUOZHJ-UHFFFAOYSA-N
Product Categories: Indoles and derivatives;Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Indoles
5-Benzyloxyindole-3-acetic acid Safety Profile
WGK Germany: 3
5-Benzyloxyindole-3-acetic acid Specification
5-Benzyloxyindole-3-acetic acid (CAS No.4382-53-0), its synonyms are [5-(Benzyloxy)-1H-indol-3-yl]acetic acid ; 1H-indole-3-acetic acid, 5-(phenylmethoxy)- ; (5-Benzyloxy-1H-indol-3-yl)-acetic acid ; 1H-Indole-3-acetic acid, 5- (phenylmethoxy)- ; 2-(5-(Benzyloxy)-1H-indol-3-yl)acetic acid ; Indole-3-acetic acid, 5-(benzyloxy)- .
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