CAS No.33522-03-1,CYCLOPENTYL ISOTHIOCYANATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33522-03-1
Name:	CYCLOPENTYL ISOTHIOCYANATE
Article Data:	8

Formula:	C₆H₉NS
Molecular Weight:	127.21
Synonyms:	Cyclopentylisothiocyanate;Isothiocyanatocyclopentane;
EINECS:	-0
Density:	1.11 g/cm³
Boiling Point:	205.8 °C at 760 mmHg
Flash Point:	73.9 °C
Solubility:	Soluble in ethanol, acetone and hydrolyzes with water.
Hazard Symbols:	T
Risk Codes:	23/24/25-36/37/38
Safety:	26-36/37/39
PSA:	44.45000
LogP:	2.03180

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Specification

The Cyclopentane,isothiocyanato- is an organic compound with the formula C₆H₉NS. The IUPAC name of this chemical is Isothiocyanatocyclopentane. With the CAS registry number 33522-03-1, it is also named as Cyclopentyl isothiocyanate. Besides, it is irritating, which should be stored in a cool, dry, sealed place.

Physical properties about Cyclopentane,isothiocyanato- are: (1)ACD/LogP: 2.43; (2)ACD/LogD (pH 5.5): 2.43; (3)ACD/LogD (pH 7.4): 2.43; (4)ACD/BCF (pH 5.5): 41.67; (5)ACD/BCF (pH 7.4): 41.67; (6)ACD/KOC (pH 5.5): 502.43; (7)ACD/KOC (pH 7.4): 502.43; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 44.45 Å²; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 38.02 cm³; (13)Molar Volume: 113.6 cm³; (14)Polarizability: 15.07×10^-24 cm³; (15)Surface Tension: 36.7 dyne/cm; (16)Density: 1.11 g/cm³; (17)Flash Point: 73.9 °C; (18)Enthalpy of Vaporization: 42.4 kJ/mol; (19)Boiling Point: 205.8 °C at 760 mmHg; (20)Vapour Pressure: 0.352 mmHg at 25 °C.

Uses of Cyclopentane,isothiocyanato-: it can be used to produce N-Cyclopentyl-N'-[2-(2-pyridinylmetylthio)ethyl]thiourea. It will need solvent Propan-2-ol with reaction time of 18 hours. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you are using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H9NS/c8-5-7-6-3-1-2-4-6/h6H,1-4H2
(2)InChIKey: PJOODZCPFADLCI-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C6H9NS/c8-5-7-6-3-1-2-4-6/h6H,1-4H2
(4)Std. InChIKey: PJOODZCPFADLCI-UHFFFAOYSA-N