-
Name
2-ETHYL-6-METHYLPHENYL ISOTHIOCYANATE
- EINECS -0
- CAS No. 66609-04-9
- Density 1 g/cm3
- Solubility
- Melting Point
- Formula C10H11NS
- Boiling Point 284.5 °C at 760 mmHg
- Molecular Weight 177.27
- Flash Point 128.9 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 23/24/25
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Ethyl-6-methylphenylisothiocyanate;6-Ethyl-o-tolyl isothiocyanate;
- PSA 44.45000
- LogP 3.29170
Benzene,1-ethyl-2-isothiocyanato-3-methyl- Specification
The Benzene,1-ethyl-2-isothiocyanato-3-methyl-, with the CAS registry number 66609-04-9, is also known as 2-Ethyl-6-methylphenyl isothiocyanate. This chemical's molecular formula is C10H11NS and molecular weight is 177.26604. Its IUPAC name is called 1-ethyl-2-isothiocyanato-3-methylbenzene.
Physical properties of Benzene,1-ethyl-2-isothiocyanato-3-methyl-: (1)ACD/LogP: 4.69; (2)ACD/LogD (pH 5.5): 4.69; (3)ACD/LogD (pH 7.4): 4.69; (4)ACD/BCF (pH 5.5): 2163.25; (5)ACD/BCF (pH 7.4): 2163.25; (6)ACD/KOC (pH 5.5): 8489.17; (7)ACD/KOC (pH 7.4): 8489.17; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.547; (11)Molar Refractivity: 56.08 cm3; (12)Molar Volume: 176.6 cm3; (13)Surface Tension: 31.7 dyne/cm; (14)Density: 1 g/cm3; (15)Flash Point: 128.9 °C; (16)Enthalpy of Vaporization: 50.25 kJ/mol; (17)Boiling Point: 284.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0051 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC=CC(=C1N=C=S)C
(2)InChI: InChI=1S/C10H11NS/c1-3-9-6-4-5-8(2)10(9)11-7-12/h4-6H,3H2,1-2H3
(3)InChIKey: IPCSOFYQRXYMDN-UHFFFAOYSA-N
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