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CAS No.: | 2314-37-6 |
---|---|
Name: | 3-IODO-4-METHOXY-BENZALDEHYDE |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C8H7IO2 |
Molecular Weight: | 262.047 |
Synonyms: | 3-Iodo-4-methoxy-benzaldehyde |
Density: | 1.78 g/cm3 |
Melting Point: | 107-112℃ |
Boiling Point: | 324.985 °C at 760 mmHg |
Flash Point: | 150.346 °C |
Hazard Symbols: | Xn,N |
Risk Codes: | 22-50 |
Safety: | 61 |
PSA: | 26.30000 |
LogP: | 2.11230 |
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The Benzaldehyde,3-iodo-4-methoxy-, with the CAS registry number 2314-37-6, is also known as 3-Iodo-4-methoxy-benzaldehyde. It belongs to the product categories of Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds. This chemical's molecular formula is C8H7IO2 and molecular weight is 262.04445. Its IUPAC name is called 3-iodo-4-methoxybenzaldehyde.
Physical properties of Benzaldehyde,3-iodo-4-methoxy-: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 3.04; (4)ACD/BCF (pH 5.5): 121.25; (5)ACD/BCF (pH 7.4): 121.25; (6)ACD/KOC (pH 5.5): 1079.24; (7)ACD/KOC (pH 7.4): 1079.24; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.633; (11)Molar Refractivity: 52.59 cm3; (12)Molar Volume: 147.1 cm3; (13)Surface Tension: 46.6 dyne/cm; (14)Density: 1.78 g/cm3; (15)Flash Point: 150.3 °C; (16)Enthalpy of Vaporization: 56.71 kJ/mol; (17)Boiling Point: 325 °C at 760 mmHg; (18)Vapour Pressure: 0.000237 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)C=O)I
(2)InChI: InChI=1S/C8H7IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
(3)InChIKey: RVWOHBWQJGLXIJ-UHFFFAOYSA-N