Basic Information | Post buying leads | Suppliers |
Name |
Benzene, 1-isothiocyanato-2-methoxy-4-nitro- |
EINECS | -0 |
CAS No. | 190774-55-1 | Density | 1.33 g/cm3 |
PSA | 99.50000 | LogP | 2.86090 |
Solubility | N/A | Melting Point |
106-109 °C(lit.) |
Formula | C8H6N2O3S | Boiling Point | 391.4 °C at 760 mmHg |
Molecular Weight | 210.21 | Flash Point | 190.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-27-36/37/39-45 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | C,Xi | |
Synonyms |
1-Isothiocyanato-2-methoxy-4-nitrobenzene;2-Isothiocyanato-5-nitrophenyl methyl ether;2-Methoxy-4-nitrophenyl isothiocyanate; |
The Benzene, 1-isothiocyanato-2-methoxy-4-nitro-, with the CAS registry number 190774-55-1, is also known as 2-Methoxy-4-nitrophenyl isothiocyanate. It belongs to the product category of Isothiocyanate. This chemical's molecular formula is C8H6N2O3S and molecular weight is 210.21. What's more, its systematic name is 1-isothiocyanato-2-methoxy-4-nitrobenzene. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, water and alcohol.
Physical properties of Benzene, 1-isothiocyanato-2-methoxy-4-nitro- are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2123.69; (6)ACD/BCF (pH 7.4): 2123.69; (7)ACD/KOC (pH 5.5): 8377.76; (8)ACD/KOC (pH 7.4): 8377.76; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 99.5 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 54.1 cm3; (15)Molar Volume: 157.2 cm3; (16)Polarizability: 21.44×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 190.5 °C; (20)Enthalpy of Vaporization: 61.59 kJ/mol; (21)Boiling Point: 391.4 °C at 760 mmHg; (22)Vapour Pressure: 5.58E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S
(2)InChI: InChI=1S/C8H6N2O3S/c1-13-8-4-6(10(11)12)2-3-7(8)9-5-14/h2-4H,1H3
(3)InChIKey: NXWXXLFRMVILJN-UHFFFAOYSA-N