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Cas Database

Name	2-Methoxy-5-iodobenzaldehyde	EINECS	N/A
CAS No.	42298-41-9	Density	1.78 g/cm³
PSA	26.30000	LogP	2.11230
Solubility	N/A	Melting Point	140-146℃
Formula	C₈H₇IO₂	Boiling Point	314.5 °C at 760 mmHg
Molecular Weight	262.047	Flash Point	144 °C
Transport Information	N/A	Appearance	N/A
Safety	26	Risk Codes	22-36/37/38
Molecular Structure		Hazard Symbols	Xn
Synonyms	NSC 95686;	Article Data	16

2-Methoxy-5-iodobenzaldehyde 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

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