CAS No.63429-99-2,5-CHLORO-2-METHOXYPHENYL ISOTHIOCYANATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63429-99-2
Name:	5-CHLORO-2-METHOXYPHENYL ISOTHIOCYANATE
Article Data:	4

Formula:	C₈H₆ClNOS
Molecular Weight:	199.661
Synonyms:	5-Chloro-2-methoxyphenyl isothiocyanate, 98%;
Density:	1.23 g/cm³
Melting Point:	56-59 °C
Boiling Point:	323.6 °C at 760 mmHg
Flash Point:	149.5 °C
Hazard Symbols:	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	53.68000
LogP:	3.08290

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Specification

The Benzene,4-chloro-2-isothiocyanato-1-methoxy-, with the CAS registry number 63429-99-2, is also known as 5-Chloro-2-methoxyphenyl isothiocyanate. This chemical's molecular formula is C₈H₆ClNOS and molecular weight is 199.66. Its systematic name is called 4-chloro-2-isothiocyanato-1-methoxybenzene.

Physical properties of Benzene,4-chloro-2-isothiocyanato-1-methoxy-: (1)ACD/LogP: 4.80; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.572; (5)Molar Refractivity: 53.04 cm³; (6)Molar Volume: 161 cm³; (7)Surface Tension: 37 dyne/cm; (8)Density: 1.23 g/cm³; (9)Flash Point: 149.5 °C; (10)Enthalpy of Vaporization: 54.31 kJ/mol; (11)Boiling Point: 323.6 °C at 760 mmHg; (12)Vapour Pressure: 0.000488 mmHg at 25°C.

Uses of Benzene,4-chloro-2-isothiocyanato-1-methoxy-: it can be used to produce 1-(5-chloro-2-methoxy-phenyl)-imidazolidine-2-thione by heating. This reaction is a kind of Cyclization. It will need reagent NaOH and solvent ethanol, H₂O with reaction time of 3 hours. The yield is about 37%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(/N=C=S)c(OC)cc1
(2)InChI: InChI=1/C8H6ClNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3
(3)InChIKey: WGLDKQQXEWPFAR-UHFFFAOYAH