Ethanone,2-amino-1-(4-nitrophenyl)-, hydrochloride (1:1) supplier

Name
2-AMINO-(4'-NITRO)ACETOPHENONE HYDROCHLORIDE
EINECS
CAS No. 5425-81-0
Article Data16
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 134 °C
Formula C₈H₉ClN₂O₃
Boiling Point 339.1 °C at 760 mmHg
Molecular Weight 216.624
Flash Point 158.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,2-amino-4'-nitro-, hydrochloride (6CI);Acetophenone, 2-amino-4'-nitro-,monohydrochloride (8CI);Ethanone, 2-amino-1-(4-nitrophenyl)-,monohydrochloride (9CI);2-Amino-4'-nitroacetophenone hydrochloride;4'-Nitro-2-aminoacetophenone hydrochloride;α-Amino-4'-nitroacetophenone hydrochloride;α-Amino-p-nitroacetophenonehydrochloride;
PSA 88.91000
LogP 2.76170

Ethanone,2-amino-1-(4-nitrophenyl)-, hydrochloride (1:1) Specification

The Ethanone,2-amino-1-(4-nitrophenyl)-, hydrochloride (1:1), with the CAS registry number 5425-81-0, is also known as 2-Amino-p-nitro-acetophenone hydrochloride. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C₈H₉ClN₂O₃ and molecular weight is 216.62. What's more, its systematic name is 2-Amino-1-(4-nitrophenyl)ethanone hydrochloride.

Physical properties of Ethanone,2-amino-1-(4-nitrophenyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 4.28; (8)ACD/KOC (pH 7.4): 42.93; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.13 Å² ; (13)Flash Point: 158.9 °C; (14)Enthalpy of Vaporization: 58.25 kJ/mol; (15)Boiling Point: 339.1 °C at 760 mmHg; (16)Vapour Pressure: 9.39E-05 mmHg at 25°C.

Uses of Ethanone,2-amino-1-(4-nitrophenyl)-, hydrochloride (1:1): it can be used to produce 1-(4-nitro-phenyl)-2-pyrrol-1-yl-ethanone at the temperature of 150 - 160 °C. It will need reagent 2,5-dimethoxy-tetrahydro-furan and solvent dimethylformamide with the reaction time of 5min. The yield is about 78%.

Ethanone,2-amino-1-(4-nitrophenyl)-, hydrochloride (1:1) can be used to produce 1-(4-nitro-phenyl)-2-pyrrol-1-yl-ethanone at the temperature of 150 - 160 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C(=O)CN)cc1.Cl
(2)InChI: InChI=1S/C8H8N2O3.ClH/c9-5-8(11)6-1-3-7(4-2-6)10(12)13;/h1-4H,5,9H2;1H
(3)InChIKey: UJBOVJRECBNSDI-UHFFFAOYSA-N

Product Name

2-AMINO-(4'-NITRO)ACETOPHENONE HYDROCHLORIDE

Ethanone,2-amino-1-(4-nitrophenyl)-, hydrochloride (1:1) Specification

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