4-Iodo-2-nitroanisole supplier

Name
4-Iodo-2-nitroanisole
EINECS
CAS No. 52692-09-8
Article Data19
CAS DataBase
Density 1.893g/cm³
Solubility
Melting Point 96-98°C
Formula C₇H₆INO₃
Boiling Point 330.8 °C at 760 mmHg
Molecular Weight 279.034
Flash Point 153.9 °C
Transport Information
Appearance
Safety 36/37-45
Risk Codes 23/24/25
Molecular Structure
Hazard Symbols
Synonyms Anisole,4-iodo-2-nitro- (6CI);3-Iodo-6-methoxynitrobenzene;4-Methoxy-3-nitro-1-iodobenzene;
PSA 55.05000
LogP 2.73120

4-Iodo-2-nitroanisole 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

Product Name

4-Iodo-2-nitroanisole

4-Iodo-2-nitroanisole Specification

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