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2,3-Dichlorothiophene

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Name

2,3-Dichlorothiophene

EINECS N/A
CAS No. 17249-79-5 Density 1.488 g/cm3
PSA 28.24000 LogP 3.05490
Solubility N/A Melting Point -26 °C
Formula C4H2Cl2S Boiling Point 170.708 °C at 760 mmHg
Molecular Weight 153.032 Flash Point 68.916 °C
Transport Information N/A Appearance Colorless to light yellow liquid
Safety 26-36/37/39-45 Risk Codes 25-43
Molecular Structure Molecular Structure of 17249-79-5 (2,3-Dichlorothiophene) Hazard Symbols ToxicT
Synonyms

2,3-Dichlorthiophen;

 

2,3-Dichlorothiophene Specification

The 2,3-Dichlorothiophene is an organic compound with the formula C4H2Cl2S. The IUPAC name of this chemical is 2,3-dichlorothiophene. With the CAS registry number 17249-79-5, it is also named as Thiophene, 2,3-dichloro-. The product's categories are Thiophens; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks.

Physical properties about 2,3-Dichlorothiophene are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.07; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 126.66; (5)ACD/BCF (pH 7.4): 126.66; (6)ACD/KOC (pH 5.5): 1113.49; (7)ACD/KOC (pH 7.4): 1113.49; (8)Polar Surface Area: 28.24 Å2; (9)Index of Refraction: 1.584; (10)Molar Refractivity: 34.42 cm3; (11)Molar Volume: 102.8 cm3; (12)Polarizability: 13.64×10-24cm3; (13)Surface Tension: 42.2 dyne/cm; (14)Density: 1.488 g/cm3; (15)Flash Point: 68.9 °C; (16)Enthalpy of Vaporization: 39.04 kJ/mol; (17)Boiling Point: 170.7 °C at 760 mmHg; (18)Vapour Pressure: 1.93 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-thiophene. This reaction will need reagent Cl2 gas and solvent CCl4. The reaction time is 45 min with reaction temperature of 0 °C. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical may cause sensitisation by skin contact. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccsc1Cl
(2)InChI: InChI=1/C4H2Cl2S/c5-3-1-2-7-4(3)6/h1-2H
(3)InChIKey: LVNVLQIXMBTMPH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H2Cl2S/c5-3-1-2-7-4(3)6/h1-2H
(5)Std. InChIKey: LVNVLQIXMBTMPH-UHFFFAOYSA-N

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