Phenol, 3-bromo-5-nitro- supplier

Name
3-Bromo-5-nitrophenol
EINECS
CAS No. 116632-23-6
Article Data17
CAS DataBase
Density 1.881 g/cm³
Solubility
Melting Point 145 °C
Formula C₆H₄BrNO₃
Boiling Point 310.383 °C at 760 mmHg
Molecular Weight 218.007
Flash Point 141.515 °C
Transport Information
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Risk Codes
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Hazard Symbols
Synonyms 3-bromo-5-nitrophenol;116632-23-6;Phenol, 3-bromo-5-nitro-;MFCD09965960;5-bromo-3-nitrophenol;3-Bromo-5-nitro-phenol;AE-562/43287008;SCHEMBL219621;DTXSID90440759;VJQGLUHOAIZTNK-UHFFFAOYSA-N;BCP33685;BBL103536;STL557346;AKOS016002096;CS-W006488;AS-20150;SY104787;EN300-100493;A846899
PSA 66.05000
LogP 2.58610

Phenol, 3-bromo-5-nitro- Specification

The CAS registry number of Phenol, 3-bromo-5-nitro- is 116632-23-6. This chemical's molecular formula is C₆H₄BrNO₃ and molecular weight is 218.0049. What's more, its systematic name is called 3-Bromo-5-nitrophenol.

Physical properties about Phenol, 3-bromo-5-nitro- are: (1)ACD/LogP: 2.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 90; (6)ACD/BCF (pH 7.4): 44; (7)ACD/KOC (pH 5.5): 866; (8)ACD/KOC (pH 7.4): 427; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 42.37 cm³; (15)Molar Volume: 115.89 cm³; (16)Surface Tension: 64.376 dyne/cm; (17)Density: 1.881 g/cm³; (18)Flash Point: 141.515 °C; (19)Enthalpy of Vaporization: 57.32 kJ/mol; (20)Boiling Point: 310.383 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc([N+]([O-])=O)cc(O)c1
(2) InChI: InChI=1/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H
(3) InChIKey: VJQGLUHOAIZTNK-UHFFFAOYAC

Product Name

3-Bromo-5-nitrophenol

Phenol, 3-bromo-5-nitro- Specification

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