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

Name
1-Boc-2,3-dihydro-7-indolecarbaldehyde
EINECS
CAS No. 174539-67-4
Article Data1
CAS DataBase
Density 1.186 g/cm³
Solubility
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
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms tert-Butyl 7-formyl-1-indolinecarboxylate;
PSA 46.61000
LogP 2.86170

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

Product Name

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

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

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