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CAS No.: | 19241-19-1 |
---|---|
Name: | 2-ETHYLPHENYL ISOTHIOCYANATE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H9NS |
Molecular Weight: | 163.243 |
Synonyms: | Isothiocyanicacid, o-ethylphenyl ester (8CI);2-Ethyl-1-isothiocyanatobenzene;2-Ethylphenylisothiocyanate;o-Ethylphenyl isothiocyanate; |
EINECS: | -0 |
Density: | 1.01 g/cm3 |
Boiling Point: | 264.8 °C at 760 mmHg |
Flash Point: | 115.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 44.45000 |
LogP: | 2.98330 |
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The Benzene,1-ethyl-2-isothiocyanato-, with the CAS registry number 19241-19-1, is also known as ZINC00164774. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds; Thiocyanates/Isothiocyanates. This chemical's molecular formula is C9H9NS and molecular weight is 163.23946. Its IUPAC name is called 1-ethyl-2-isothiocyanatobenzene.
Physical properties of Benzene,1-ethyl-2-isothiocyanato-: (1)ACD/LogP: 4.23; (2)ACD/LogD (pH 5.5): 4.23; (3)ACD/LogD (pH 7.4): 4.23; (4)ACD/BCF (pH 5.5): 967.05; (5)ACD/BCF (pH 7.4): 967.05; (6)ACD/KOC (pH 5.5): 4770.72; (7)ACD/KOC (pH 7.4): 4770.72; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.553; (11)Molar Refractivity: 51.66 cm3; (12)Molar Volume: 161.3 cm3; (13)Surface Tension: 33.4 dyne/cm; (14)Density: 1.01 g/cm3; (15)Flash Point: 115.1 °C; (16)Enthalpy of Vaporization: 48.25 kJ/mol; (17)Boiling Point: 264.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0155 mmHg at 25°C.
Uses of Benzene,1-ethyl-2-isothiocyanato-: it can be used to produce 2,4-Dichlorophenoxyacetyl-N4-(2-ethylphenyl)-3-thiosemicarbazide by heating. This reaction will need solvent benzene. The yield is about 60%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC=CC=C1N=C=S
(2)InChI: InChI=1S/C9H9NS/c1-2-8-5-3-4-6-9(8)10-7-11/h3-6H,2H2,1H3
(3)InChIKey: OVAFDUCMHLFDIG-UHFFFAOYSA-N