CAS No.621-52-3,3-NITROPHENETOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	621-52-3
Name:	3-NITROPHENETOLE
Article Data:	19

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	Phenetole,m-nitro- (7CI,8CI);1-Ethoxy-3-nitrobenzene;Ethyl 3-nitrophenyl ether;NSC5405;m-Ethoxynitrobenzene;m-Nitrophenetole;m-Nitrophenyl ethyl ether;
EINECS:	210-691-2
Density:	1.178 g/cm³
Melting Point:	36°C
Boiling Point:	270.7 °C at 760 mmHg
Flash Point:	128.1 °C
PSA:	55.05000
LogP:	2.51670

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Specification

This chemical is called Benzene, 1-ethoxy-3-nitro-, and it can also be named as 3-Nitrophenetole. With the molecular formula of C₈H₉NO₃, its molecular weight is 167.16. The CAS registry number of this chemical is 621-52-3. Additionally, its product category is Phenetole.

Other characteristics of the Benzene, 1-ethoxy-3-nitro- can be summarised as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.26; (6)ACD/BCF (pH 7.4): 66.26; (7)ACD/KOC (pH 5.5): 700.3; (8)ACD/KOC (pH 7.4): 700.3; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 44.1 cm³; (15)Molar Volume: 141.7 cm³; (16)Polarizability: 17.48×10^-24cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.178 g/cm³; (19)Flash Point: 128.1 °C; (20)Enthalpy of Vaporization: 48.84 kJ/mol; (21)Boiling Point: 270.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0112 mmHg at 25°C.

Production method of this chemical: The could be obtained by the reactants of sulfuric acid diethyl ester and 3-nitro-phenol. The yield is 90 %.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cccc(OCC)c1
2.InChI: InChI=1/C8H9NO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3
3.InChIKey: LFOLBPDHVGDKGJ-UHFFFAOYAZ