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| CAS No.: | 6640-09-1 |
|---|---|
| Name: | 5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID |
| Article Data: | 13 |
| Molecular Structure: | |
|
|
|
| Formula: | C16H13 N O3 |
| Molecular Weight: | 267.284 |
| Synonyms: | Indole-2-carboxylicacid, 5-(benzyloxy)- (8CI); 5-Benzyloxy-1H-indole-2-carboxylic acid;5-Benzyloxyindole-2-carboxylic acid; NSC 30930; NSC 49096 |
| EINECS: | 229-652-6 |
| Density: | 1.342g/cm3 |
| Melting Point: | 192 °C |
| Boiling Point: | 531.1°C at 760 mmHg |
| Flash Point: | 275°C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38; |
| Safety: | 241643 |
| PSA: | 62.32000 |
| LogP: | 3.44510 |
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- Total:27 Page 1 of 1 1
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Chemistry
Molecular Structure of 5-Benzyloxy-1H-indole-2-carboxylic acid (CAS No.6640-09-1):
Molecular Formula: C16H13NO3
Molecular Weight: 267.2793
CAS No: 6640-09-1
IUPAC Name: 5-Phenylmethoxy-1H-indole-2-carboxylic acid
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 40.46 Å2
Index of Refraction: 1.696
Molar Refractivity: 76.62 cm3
Molar Volume: 199.1 cm3
Surface Tension: 63.3 dyne/cm
Density: 1.342 g/cm3
Flash Point: 275 °C
Enthalpy of Vaporization: 84.9 kJ/mol
Boiling Point: 531.1 °C at 760 mmHg
Vapour Pressure: 4.13E-12 mmHg at 25°C
InChI: InChI=1/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-UHFFFAOYAW
Std. 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)
Std. InChIKey: MVCLSAMNMAWXFQ-UHFFFAOYSA-N
Product Categories: Indoles and derivatives
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Specification
5-Benzyloxy-1H-indole-2-carboxylic acid (CAS No.6640-09-1), its synonyms are 1H-indole-2-carboxylic acid, 5-(phenylmethoxy)- ; 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid ; 5-Benzyloxy-2-Indole Carboxylic Acid .