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Phenol,3-bromo-4-nitro-

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Name

Phenol,3-bromo-4-nitro-

EINECS N/A
CAS No. 5470-65-5 Density 1.881 g/cm3
PSA 66.05000 LogP 2.58610
Solubility N/A Melting Point 125-127 °C
Formula C6H4BrNO3 Boiling Point 306.7 °C at 760 mmHg
Molecular Weight 218.007 Flash Point 139.3 °C
Transport Information N/A Appearance brown solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5470-65-5 (3-Bromo-4-nitrophenol) Hazard Symbols N/A
Synonyms

3-Bromo-4-nitrophenol;NSC 27960;

Article Data 15

Phenol,3-bromo-4-nitro- 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

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