CAS No.52692-09-8,4-Iodo-2-nitroanisole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52692-09-8
Name:	4-Iodo-2-nitroanisole
Article Data:	19

Formula:	C₇H₆INO₃
Molecular Weight:	279.034
Synonyms:	Anisole,4-iodo-2-nitro- (6CI);3-Iodo-6-methoxynitrobenzene;4-Methoxy-3-nitro-1-iodobenzene;
Density:	1.893g/cm³
Melting Point:	96-98°C
Boiling Point:	330.8 °C at 760 mmHg
Flash Point:	153.9 °C
Risk Codes:	23/24/25
Safety:	36/37-45
PSA:	55.05000
LogP:	2.73120

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Specification

The 4-Iodo-2-nitroanisole with cas registry number of 52692-09-8, has the systematic name of 4-iodo-1-methoxy-2-nitro-benzene. And it is also called benzene, 4-iodo-1-methoxy-2-nitro-.

Physical properties about this chemical are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 55.05 Å²; (9)Index of Refraction: 1.629; (10)Molar Refractivity: 52.38 cm³; (11)Molar Volume: 147.3 cm³; (12)Polarizability: 20.76×10^-24cm³; (13)Surface Tension: 51.6 dyne/cm; (14)Enthalpy of Vaporization: 55.06 kJ/mol; (15)Vapour Pressure: 0.000313 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Iodo-2-nitroanisole is toxic by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(I)cc1[N+]([O-])=O
(2)InChI: InChI=1/C7H6INO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
(3)InChIKey: WULXGCDMVLQZBT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H6INO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
(5)Std. InChIKey: WULXGCDMVLQZBT-UHFFFAOYSA-N