3-Thiophenamine, 2-nitro- supplier

Name
2-nitrothiophen-3-amine
EINECS
CAS No. 52003-20-0
Article Data5
CAS DataBase
Density 1.549 g/cm³
Solubility
Melting Point 158.5-160℃
Formula C₄H₄N₂O₂S
Boiling Point 360.2 °C at 760 mmHg
Molecular Weight 144.154
Flash Point 171.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-2-nitrothiophene;NSC 376708;2-Nitro-3-aminothiophene;
PSA 100.08000
LogP 2.34290

3-Thiophenamine, 2-nitro- Specification

This chemical is called 3-Thiophenamine, 2-nitro-, and its systematic name is 2-nitrothiophen-3-amine. With the molecular formula of C₄H₄N₂O₂S, its molecular weight is 144.15. The CAS registry number of this chemical is 52003-20-0.

Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.54; (6)ACD/BCF (pH 7.4): 8.54; (7)ACD/KOC (pH 5.5): 161.53; (8)ACD/KOC (pH 7.4): 161.53; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 77.3 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 35.41 cm³; (15)Molar Volume: 93 cm³; (16)Polarizability: 14.04×10^-24cm³; (17)Surface Tension: 72.7 dyne/cm; (18)Density: 1.549 g/cm³; (19)Flash Point: 171.6 °C; (20)Enthalpy of Vaporization: 60.59 kJ/mol; (21)Boiling Point: 360.2 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-05 mmHg at 25°C.

Production method of this chemical: The 3-Thiophenamine, 2-nitro- could be obtained by the reactant of 3-bromo-2-nitro-thiophene. This reaction needs the reagent of NH₃(liq.), and the solvent of tetrahydrofuran. The yield is 50 %. In addition, this reaction should be taken for 7 days at ambient temperature.

The 3-Thiophenamine, 2-nitro- could be obtained by the reactant of 3-bromo-2-nitro-thiophene

Uses of this chemical: The 3-Thiophenamine, 2-nitro- could react with acetyl chloride, and obtain the N-(2-nitro-[3]thienyl)-acetamide. This reaction needs the solvent of acetic acid. The yield is 95 %. In addition, this reaction should be taken for 3 hours with the heating.

The 3-Thiophenamine, 2-nitro- could react with acetyl chloride, and obtain the N-(2-nitro-[3]thienyl)-acetamide

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 553, 1988.
mouse	LD50	oral	750mg/kg (750mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 553, 1988.

Product Name

2-nitrothiophen-3-amine

3-Thiophenamine, 2-nitro- Specification

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