Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Phenol, 3-bromo-5-nitro- |
EINECS | N/A |
CAS No. | 116632-23-6 | Density | 1.881 g/cm3 |
PSA | 66.05000 | LogP | 2.58610 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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 |
Article Data | 17 |
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