CAS No.4101-32-0,1-(4,5-DIMETHOXY-2-NITRO-PHENYL)-ETHANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4101-32-0
Name:	1-(4,5-DIMETHOXY-2-NITRO-PHENYL)-ETHANONE
Article Data:	24

Formula:	C₁₀H₁₁NO₅
Molecular Weight:	225.201
Synonyms:	Acetophenone,4',5'-dimethoxy-2'-nitro- (7CI,8CI);4',5'-Dimethoxy-2'-nitroacetophenone;
Density:	1.245 g/cm³
Melting Point:	133.5-135 °C
Boiling Point:	389.2 °C at 760 mmHg
Flash Point:	184.5 °C
PSA:	81.35000
LogP:	2.33780

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Specification

The CAS register number of Ethanone,1-(4,5-dimethoxy-2-nitrophenyl)- is 4101-32-0. It also can be called as 2'-Nitro-4',5'-dimethoxyacetophenone and the IUPAC name about this chemical is 1-(4,5-dimethoxy-2-nitrophenyl)ethanone. The molecular formula about this chemical is C₁₀H₁₁NO₅ and the molecular weight is 225.2. It belongs to the Aromatic Acetophenones & Derivatives (substituted).

Physical properties about Ethanone,1-(4,5-dimethoxy-2-nitrophenyl)- are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): 1.91; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 16.57; (5)ACD/BCF (pH 7.4): 16.57; (6)ACD/KOC (pH 5.5): 259.69; (7)ACD/KOC (pH 7.4): 259.69; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 81.35 Å²; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 56.18 cm³; (13)Molar Volume: 180.8 cm³; (14)Polarizability: 22.27x10^-24cm³; (15)Surface Tension: 42.3 dyne/cm; (16)Flash Point: 184.5 °C; (17)Enthalpy of Vaporization: 63.85 kJ/mol; (18)Boiling Point: 389.2 °C at 760 mmHg; (19)Vapour Pressure: 2.91E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(OC)cc1C(=O)
(2)InChI: InChI=1/C10H11NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-5H,1-3H3
(3)InChIKey: ZVLFGESHYMKNQP-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H11NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-5H,1-3H3
(5)Std. InChIKey: ZVLFGESHYMKNQP-UHFFFAOYSA-N