CAS No.5470-65-5,3-Bromo-4-nitrophenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5470-65-5
Name:	3-Bromo-4-nitrophenol
Article Data:	15

Formula:	C₆H₄BrNO₃
Molecular Weight:	218.007
Synonyms:	3-Bromo-4-nitrophenol;NSC 27960;
Density:	1.881 g/cm³
Melting Point:	125-127 °C
Boiling Point:	306.7 °C at 760 mmHg
Flash Point:	139.3 °C
Appearance:	brown solid
PSA:	66.05000
LogP:	2.58610

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Specification

The Phenol,3-bromo-4-nitro-, with the CAS registry number 5470-65-5, is also known as Phenol, 3-bromo-4-nitro- (8CI)(9CI). It belongs to the product categories of Aromatics Compounds; Aromatics. This chemical's molecular formula is C₆H₄BrNO₃ and molecular weight is 218.0049. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-4-nitrophenol. It is brown solid.

Physical properties about Phenol,3-bromo-4-nitro- are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 41.98; (6)ACD/BCF (pH 7.4): 3.75; (7)ACD/KOC (pH 5.5): 485.31; (8)ACD/KOC (pH 7.4): 43.36; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 42.37 cm³; (15)Molar Volume: 115.8 cm³; (16)Surface Tension: 64.3 dyne/cm; (17)Density: 1.881 g/cm³; (18)Flash Point: 139.3 °C; (19)Enthalpy of Vaporization: 56.9 kJ/mol; (20)Boiling Point: 306.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00042 mmHg at 25 °C; (22) Melting Point: 125-127 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccc(O)cc1Br
(2) InChI: InChI=1/C6H4BrNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
(3) InChIKey: SZYVPWPBRABKAB-UHFFFAOYAH