CAS No.5330-98-3,2-CHLORO-3-NITROTHIOPHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5330-98-3
Name:	2-CHLORO-3-NITROTHIOPHENE

Formula:	C₄H₂ClNO₂S
Molecular Weight:	163.584
Synonyms:	2-Chloro-3-nitrothiophene;NSC 2546;
Density:	1.592g/cm³
Melting Point:	51 °C
Boiling Point:	253.5 °C at 760 mmHg
Flash Point:	107.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	74.06000
LogP:	2.83290

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Specification

The Thiophene,2-chloro-3-nitro-, with CAS registry number 5330-98-3, belongs to the following product category: (1)Thiophene & Benzothiophene. It has the systematic name of 2-chloro-3-nitrothiophene. And the chemical formula of this chemical is C₄H₂ClNO₂S.

Physical properties of Thiophene,2-chloro-3-nitro-: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 74.06 Å²; (7)Index of Refraction: 1.62; (8)Molar Refractivity: 36.07 cm³; (9)Molar Volume: 102.7 cm³; (10)Polarizability: 14.3×10^-24cm³; (11)Surface Tension: 56.6 dyne/cm; (12)Density: 1.592 g/cm³; (13)Flash Point: 107.1 °C; (14)Enthalpy of Vaporization: 47.1 kJ/mol; (15)Boiling Point: 253.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0291 mmHg at 25°C.

Uses of Thiophene,2-chloro-3-nitro-: it can be used to produce 3-(3-nitro-thiophen-2-yl)-1H-indole. This reaction will need reagents methylmagnesium iodide, ZnCl₂ and solvent diethyl ether. The reaction time is 7 hour(s) with reaction temperature of 20 ℃. The yield is about 66%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccsc1Cl
(2)InChI: InChI=1/C4H2ClNO2S/c5-4-3(6(7)8)1-2-9-4/h1-2H
(3)InChIKey: OFPRGOSJWUNETN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C4H2ClNO2S/c5-4-3(6(7)8)1-2-9-4/h1-2H
(5)Std. InChIKey: OFPRGOSJWUNETN-UHFFFAOYSA-N