CAS No.423165-33-7,2-BROMO-5-NITROETHOXYBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	423165-33-7
Name:	2-BROMO-5-NITROETHOXYBENZENE
Article Data:	1

Formula:	C₈H₈BrNO₃
Molecular Weight:	246.06
Synonyms:	1-Bromo-2-ethoxy-4-nitrobenzene;
Density:	1.557 g/cm³
Melting Point:	54-56 °C
Boiling Point:	314.8 °C at 760 mmHg
Flash Point:	144.2 °C
PSA:	55.05000
LogP:	3.27920

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Specification

The Benzene, 1-bromo-2-ethoxy-4-nitro-, with the CAS registry number of 423165-33-7, is also known as 2-Bromo-5-nitrophenetole. It belongs to the product categories of Phenetole; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Nitro Compounds. This chemical's molecular formula is C₈H₈BrNO₃ and molecular weight is 246.06. What's more, its systematic name is called 1-Bromo-2-ethoxy-4-nitrobenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with oxidant.

Physical properties about Benzene, 1-bromo-2-ethoxy-4-nitro- are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 133.83; (6)ACD/BCF (pH 7.4): 133.83; (7)ACD/KOC (pH 5.5): 1158.24; (8)ACD/KOC (pH 7.4): 1158.24; (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: 1.569; (14)Molar Refractivity: 51.79 cm³; (15)Molar Volume: 157.9 cm³; (16)Surface Tension: 45.2 dyne/cm; (17)Density: 1.557 g/cm³; (18)Flash Point: 144.2 °C; (19)Enthalpy of Vaporization: 53.38 kJ/mol; (20)Boiling Point: 314.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000841 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1OCC)[N+]([O-])=O
(2) InChI: InChI=1/C8H8BrNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3
(3) InChIKey: ZALXYXWTUXLPBJ-UHFFFAOYAL