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

Name
2-AMINO-1-(4-NITROPHENYL)ETHAN-1-ONE HYDROCHLORIDE HYDRATE
EINECS
CAS No. 4740-22-1
Article Data3
CAS DataBase
Density 1.320±0.06 g/cm3(Predicted)
Solubility
Melting Point 134 °C
Formula C₈H₁₁ClN₂O₄
Boiling Point 339.1 °C at 760 mmHg
Molecular Weight 180.163
Flash Point 158.9 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,2-amino-4'-nitro- (6CI,7CI,8CI);2-Amino-1-(4-nitrophenyl)ethanone;2-Amino-4'-nitroacetophenone;a-Amino-4-nitroacetophenone;
PSA 98.14000
LogP 2.69740

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

The CAS register number of Ethanone,2-amino-1-(4-nitrophenyl)- is 4740-22-1. It also can be called as 2-Amino-4'-nitroacetophenone and the systematic name about this chemical is 2-amino-1-(4-nitrophenyl)ethanone hydrochloride hydrate. The molecular formula about this chemical is C₈H₁₁ClN₂O₄ and the molecular weight is 234.64. It belongs to the following product category which includes Phenyls & Phenyl-Het. This chemical is irritant. It may cause inflammation to the skin or other mucous membranes.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C(=O)CN)cc1.Cl.O
(2)InChI: InChI=1/C8H8N2O3.ClH.H2O/c9-5-8(11)6-1-3-7(4-2-6)10(12)13;;/h1-4H,5,9H2;1H;1H2
(3)InChIKey: MOJVJGPKYPKSFV-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H8N2O3.ClH.H2O/c9-5-8(11)6-1-3-7(4-2-6)10(12)13;;/h1-4H,5,9H2;1H;1H2
(5)Std. InChIKey: MOJVJGPKYPKSFV-UHFFFAOYSA-N

Product Name

2-AMINO-1-(4-NITROPHENYL)ETHAN-1-ONE HYDROCHLORIDE HYDRATE

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

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