CAS No.42298-41-9,5-IODO-2-METHOXYBENZALDEHYDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	42298-41-9
Name:	5-IODO-2-METHOXYBENZALDEHYDE
Article Data:	16

Formula:	C₈H₇IO₂
Molecular Weight:	262.047
Synonyms:	NSC 95686;
Density:	1.78 g/cm³
Melting Point:	140-146℃
Boiling Point:	314.5 °C at 760 mmHg
Flash Point:	144 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26
PSA:	26.30000
LogP:	2.11230

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Specification

The 2-Methoxy-5-iodobenzaldehyde, with cas registry number 42298-41-9, belongs to the following product categories: Aromatic Aldehydes & Derivatives (substituted). Its systematic name and its IUPAC name are the same one, which is 5-iodo-2-methoxybenzaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.633; (8)Molar Refractivity: 52.59 cm³; (9)Molar Volume: 147.1 cm³; (10)Polarizability: 20.84×10^-24cm³; (11)Surface Tension: 46.6 dyne/cm; (12)Enthalpy of Vaporization: 55.56 kJ/mol; (13)Vapour Pressure: 0.000465 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(OC)c(C=O)c1
(2)InChI: InChI=1/C8H7IO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
(3)InChIKey: PIRKMHAREMCDPZ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H7IO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
(5)Std. InChIKey: PIRKMHAREMCDPZ-UHFFFAOYSA-N