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1-Boc-2,3-dihydro-7-indolecarbaldehyde

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Name

1-Boc-2,3-dihydro-7-indolecarbaldehyde

EINECS N/A
CAS No. 174539-67-4 Density 1.186 g/cm3
PSA 46.61000 LogP 2.86170
Solubility N/A Melting Point 86-90 °C
Formula C14H17NO3 Boiling Point 364.4 °C at 760 mmHg
Molecular Weight 247.294 Flash Point 174.2 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 174539-67-4 (1-Boc-2,3-dihydro-7-indolecarbaldehyde) Hazard Symbols ToxicT
Synonyms

tert-Butyl 7-formyl-1-indolinecarboxylate;

Article Data 1

1-Boc-2,3-dihydro-7-indolecarbaldehyde Specification

The 1-Boc-2,3-dihydro-7-indolecarbaldehyde, with the CAS registry number 174539-67-4, is also known as tert-Butyl 7-formyl-2,3-dihydro-1H-indole-1-carboxylate. This chemical's molecular formula is C14H17NO3 and molecular weight is 247.29. What's more, its IUPAC name is called tert-Butyl 7-formyl-2,3-dihydroindole-1-carboxylate.

Physical properties about 1-Boc-2,3-dihydro-7-indolecarbaldehyde are: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 109.35; (6)ACD/BCF (pH 7.4): 109.35; (7)ACD/KOC (pH 5.5): 1002.29; (8)ACD/KOC (pH 7.4): 1002.29; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 68.94 cm3; (15)Molar Volume: 208.4 cm3; (16)Surface Tension: 47.8 dyne/cm; (17)Density: 1.186 g/cm3; (18)Flash Point: 174.2 °C; (19)Enthalpy of Vaporization: 61.06 kJ/mol; (20)Boiling Point: 364.4 °C at 760 mmHg; (21)Vapour Pressure: 1.69E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is toxic if swallowed and at low levels cause damage to health. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N2c1c(cccc1CC2)C=O
(2) InChI: InChI=1/C14H17NO3/c1-14(2,3)18-13(17)15-8-7-10-5-4-6-11(9-16)12(10)15/h4-6,9H,7-8H2,1-3H3
(3) InChIKey: KUYIMEZLCAWOMI-UHFFFAOYAH

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