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CAS No.: | 57476-50-3 |
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Name: | tert-Butyl 3-formyl-1h-indole-1-carboxylate |
Article Data: | 74 |
Molecular Structure: | |
Formula: | C14H15NO3 |
Molecular Weight: | 245.278 |
Synonyms: | 1-(tert-Butoxycarbonyl)-1H-indole-3-carboxaldehyde;1-tert-Butoxycarbonylindole-3-carboxaldehyde;3-Formylindole-1-carboxylic acidtert-butyl ester;N-(tert-Butoxycarbonyl)indole-3-carboxaldehyde;N-Boc-indole-3-carboxaldehyde;N-t-Butoxycarbonyl-1H-indole-3-carboxaldehyde;N-tert-Butyloxycarbonyl-1H-indole-3-carboxaldehyde;tert-Butyl3-formyl-1H-indole-1-carboxylate;1-Boc-3-formylindole; |
Density: | 1.13 g/cm3 |
Melting Point: | 119-121 °C |
Boiling Point: | 380 °C at 760 mmHg |
Flash Point: | 183.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 48.30000 |
LogP: | 3.23700 |
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The CAS register number of tert-Butyl 3-formyl-1h-indole-1-carboxylate is 57476-50-3. It also can be called as tert-Butyl 3-formyl-1H-indole-1-carboxylate and the systematic name about this chemical is tert-butyl 3-formylindole-1-carboxylate. The molecular formula about this chemical is C14H15NO3 and the molecular weight is 245.27.
Physical properties about tert-Butyl 3-formyl-1h-indole-1-carboxylate are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 184.4; (5)ACD/BCF (pH 7.4): 184.4; (6)ACD/KOC (pH 5.5): 1456.94; (7)ACD/KOC (pH 7.4): 1456.94; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 48.3Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 68.99 cm3; (13)Molar Volume: 215.5 cm3; (14)Polarizability: 27.35x10-24cm3; (15)Surface Tension: 40 dyne/cm; (16)Enthalpy of Vaporization: 62.81 kJ/mol; (17)Boiling Point: 380 °C at 760 mmHg; (18)Vapour Pressure: 5.63E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)n2c1ccccc1c(c2)C=O
(2)InChI: InChI=1/C14H15NO3/c1-14(2,3)18-13(17)15-8-10(9-16)11-6-4-5-7-12(11)15/h4-9H,1-3H3
(3)InChIKey: GDYHUGFAKMUUQL-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H15NO3/c1-14(2,3)18-13(17)15-8-10(9-16)11-6-4-5-7-12(11)15/h4-9H,1-3H3
(5)Std. InChIKey: GDYHUGFAKMUUQL-UHFFFAOYSA-N