CAS No.1757-72-8,1-Methyl-2-phenylindole-3-carboxaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1757-72-8
Name:	1-Methyl-2-phenylindole-3-carboxaldehyde
Article Data:	36

Formula:	C₁₆H₁₃NO
Molecular Weight:	235.285
Synonyms:	Indole-3-carboxaldehyde,1-methyl-2-phenyl- (6CI,7CI,8CI);1-Methyl-2-phenyl-1H-indole-3-carboxaldehyde;1-Methyl-2-phenyl-3-formylindole;3-Formyl-1-methyl-2-phenylindole;
EINECS:	217-149-4
Density:	1.11 g/cm³
Melting Point:	128 °C
Boiling Point:	447.4 °C at 760 mmHg
Flash Point:	224.4 °C
Appearance:	yellow crystalline powder
Safety:	24/25
PSA:	22.00000
LogP:	3.65780

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Specification

The 1-Methyl-2-phenylindole-3-carboxaldehyde, with the CAS registry number 1757-72-8 and EINECS registry number 217-149-4, has the systematic name of 1-methyl-2-phenyl-1H-indole-3-carbaldehyde. And the molecular formula of this chemical is C₁₆H₁₃NO. It belongs to the folllowing product categories: Intermediates of Dyes and Pigments; Indole; Indoles.

The physical properties of 1-Methyl-2-phenylindole-3-carboxaldehyde are as following: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 234.27; (6)ACD/BCF (pH 7.4): 234.27; (7)ACD/KOC (pH 5.5): 1729.24; (8)ACD/KOC (pH 7.4): 1729.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 73.25 cm³; (15)Molar Volume: 211.8 cm³; (16)Polarizability: 29.04×10^-24cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 224.4 °C; (20)Enthalpy of Vaporization: 70.57 kJ/mol; (21)Boiling Point: 447.4 °C at 760 mmHg; (22)Vapour Pressure: 3.38E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c1ccccc1n(c2c3ccccc3)C
(2)InChI: InChI=1/C16H13NO/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12/h2-11H,1H3
(3)InChIKey: YJOWMBICANYBLV-UHFFFAOYAF