Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Iodo-4-nitrophenol |
EINECS | N/A |
CAS No. | 50590-07-3 | Density | 2.176 g/cm3 |
PSA | 66.05000 | LogP | 2.42820 |
Solubility | N/A | Melting Point |
153-159 °C |
Formula | C6H4INO3 | Boiling Point | 382.525 °C at 760 mmHg |
Molecular Weight | 265.007 | Flash Point | 185.145 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37/39-26 | Risk Codes | 36/37/38-20/21/22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Phenol, 3-iodo-4-nitro-; |
Article Data | 7 |
3-Iodo-4-nitrophenol is an organic compound with the formula C6H4INO3, and its systematic name is the same with the product name. With the CAS registry number 50590-07-3, it is also named as Phenol, 3-iodo-4-nitro-. It belongs to the product category of Aromatic. In addition, the molecular weight is 265.01.
Physical properties of 3-Iodo-4-nitrophenol are: (1)ACD/LogP: 3.057; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.00; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 109.64; (6)ACD/BCF (pH 7.4): 11.01; (7)ACD/KOC (pH 5.5): 969.92; (8)ACD/KOC (pH 7.4): 97.36; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å2; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 47.587 cm3; (15)Molar Volume: 121.778 cm3; (16)Polarizability: 18.865×10-24cm3; (17)Surface Tension: 70.908 dyne/cm; (18)Density: 2.176 g/cm3; (19)Flash Point: 185.145 °C; (20)Enthalpy of Vaporization: 65.565 kJ/mol; (21)Boiling Point: 382.525 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you must wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1O)I)[N+](=O)[O-]
(2)Std. InChI: InChI=1S/C6H4INO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
(3)Std. InChIKey: FIWCMSJAIDKMNX-UHFFFAOYSA-N