CAS No.23351-05-5,Benzaldehyde,4-(1H-pyrrol-1-yl)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23351-05-5
Name:	Benzaldehyde,4-(1H-pyrrol-1-yl)-
Article Data:	7

Formula:	C₁₁H₉NO
Molecular Weight:	171.199
Synonyms:	4-Pyrrol-1-yl-benzaldehyde, 95+%;
Density:	1.066 g/cm³
Melting Point:	94-95 °C
Boiling Point:	306.656 °C at 760 mmHg
Flash Point:	139.261 °C
Hazard Symbols:	Xi
Risk Codes:	37/38-41-43
Safety:	24/25
PSA:	22.00000
LogP:	2.28980

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Specification

The Benzaldehyde,4-(1H-pyrrol-1-yl)-, with the CAS registry number of 23351-05-5, is also known as 4-Pyrrol-1-yl-benzaldehyde, 95+%. This chemical's molecular formula is C₁₁H₉NO and molecular weight is 171.2. What's more, its IUPAC name is 4-Pyrrol-1-ylbenzaldehyde. When you are dealing with this chemical, you should be very careful. And you should avoid contacting with skin and eyes.

Physical properties about the Benzaldehyde,4-(1H-pyrrol-1-yl)- are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.783; (4)ACD/LogD (pH 7.4): 2.783; (5)ACD/BCF (pH 5.5): 76.786; (6)ACD/BCF (pH 7.4): 76.786; (7)ACD/KOC (pH 5.5): 778.209; (8)ACD/KOC (pH 7.4): 778.209; (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: 1.573; (14)Molar Refractivity: 52.948 cm³; (15)Molar Volume: 160.646 cm³; (16)Surface Tension: 42.117 dyne/cm; (17)Density: 1.066 g/cm³; (18)Flash Point: 139.261 °C; (19)Enthalpy of Vaporization: 54.719 kJ/mol; (20)Boiling Point: 306.656 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccn(c1)c2ccc(cc2)C=O
(2) InChI: InChI=1/C11H9NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-9H
(3) InChIKey: VMNADOXDGZJTBJ-UHFFFAOYAJ