CAS No.50590-07-3,4-IODO-3-NITROPHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50590-07-3
Name:	4-IODO-3-NITROPHENOL
Article Data:	7

Formula:	C₆H₄INO₃
Molecular Weight:	265.007
Synonyms:	Phenol, 3-iodo-4-nitro-;
Density:	2.176 g/cm³
Melting Point:	153-159 °C
Boiling Point:	382.525 °C at 760 mmHg
Flash Point:	185.145 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38-20/21/22
Safety:	36/37/39-26
PSA:	66.05000
LogP:	2.42820

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Specification

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