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Name |
Benzeneacetic acid,5-bromo-2-nitro- |
EINECS | N/A |
CAS No. | 124840-61-5 | Density | 1.794 g/cm3 |
PSA | 83.12000 | LogP | 2.50760 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6BrNO4 | Boiling Point | 396.9 °C at 760 mmHg |
Molecular Weight | 260.044 | Flash Point | 193.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5-bromo-2-nitrophenyl)acetic acid; |
Article Data | 4 |
The Benzeneacetic acid,5-bromo-2-nitro-, with the CAS registry number 124840-61-5, has the systematic name of (5-bromo-2-nitrophenyl)acetic acid. And the molecular formula of this chemical is C8H6BrNO4. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Benzeneacetic acid,5-bromo-2-nitro- are as following: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): -1.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.35; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 51.6 cm3; (15)Molar Volume: 144.9 cm3; (16)Polarizability: 20.45×10-24cm3; (17)Surface Tension: 65.1 dyne/cm; (18)Density: 1.794 g/cm3; (19)Flash Point: 193.8 °C; (20)Enthalpy of Vaporization: 68.26 kJ/mol; (21)Boiling Point: 396.9 °C at 760 mmHg; (22)Vapour Pressure: 5.2E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(Br)cc1)CC(=O)O
(2)InChI: InChI=1/C8H6BrNO4/c9-6-1-2-7(10(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: ZKKCLKYKTRUIKW-UHFFFAOYAN