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| CAS No.: | 14401-03-7 |
|---|---|
| Name: | 2,6-Dibromo-3-methyl-4-nitrophenol |
| Molecular Structure: | |
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| Formula: | C7H5Br2NO3 |
| Molecular Weight: | 310.93 |
| Synonyms: | m-Cresol,2,6-dibromo-4-nitro- (8CI);2,6-Dibromo-3-methyl-4-nitrophenol; |
| Density: | 2.095 g/cm3 |
| Melting Point: | 134℃ |
| Boiling Point: | 312.3 °C at 760 mmHg |
| Flash Point: | 142.7 °C |
| Appearance: | white like or light brown crystalline powder |
| PSA: | 66.05000 |
| LogP: | 3.65700 |
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Specification
The 2,6-Dibromo-3-methyl-4-nitrophenol, with the CAS registry number 14401-03-7, is also known as m-Cresol,2,6-dibromo-4-nitro- (8CI). This chemical's molecular formula is C7H5Br2NO3 and molecular weight is 310.93. What's more, its systematic name is 2,6-Dibromo-3-methyl-4-nitrophenol.
Physical properties of 2,6-Dibromo-3-methyl-4-nitrophenol are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 7.95; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.52; (8)ACD/KOC (pH 7.4): 2.16; (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: 1.661; (14)Molar Refractivity: 54.88 cm3; (15)Molar Volume: 148.3 cm3; (16)Polarizability: 21.75×10-24 cm3; (17)Surface Tension: 62 dyne/cm; (18)Density: 2.095 g/cm3; (19)Flash Point: 142.7 °C; (20)Enthalpy of Vaporization: 57.53 kJ/mol; (21)Boiling Point: 312.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000291 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(cc(Br)c1O)[N+]([O-])=O)C
(2)InChI: InChI=1/C7H5Br2NO3/c1-3-5(10(12)13)2-4(8)7(11)6(3)9/h2,11H,1H3
(3)InChIKey: IPHPHFJJKHXWHH-UHFFFAOYSA-N