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CAS No.: | 13073-29-5 |
---|---|
Name: | 2-METHYL-6-NITROPHENOL |
Article Data: | 57 |
Molecular Structure: | |
Formula: | C7H7NO3 |
Molecular Weight: | 153.137 |
Synonyms: | o-Cresol,6-nitro- (7CI,8CI);2-Hydroxy-3-methylnitrobenzene;2-Hydroxy-3-nitrotoluol;2-Methyl-6-nitrophenol;6-Methyl-2-nitrophenol;6-Nitro-o-cresol;NSC 28585; |
Density: | 1.32g/cm3 |
Melting Point: | 70 °C |
Boiling Point: | 235.8 °C at 760 mmHg |
Flash Point: | 104 °C |
Appearance: | white like or light brown crystalline powder |
PSA: | 66.05000 |
LogP: | 2.13200 |
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The Phenol,2-methyl-6-nitro-, with CAS registry number 13073-29-5, belongs to the following product category: Aromatic Phenols. It has the systematic name of 2-methyl-6-nitrophenol. Besides this, it is also called 6-Nitro-2-methylphenol. And the chemical formula of this chemical is C7H7NO3.
Physical properties of Phenol,2-methyl-6-nitro-: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 25.94; (6)ACD/BCF (pH 7.4): 14.31; (7)ACD/KOC (pH 5.5): 356.78; (8)ACD/KOC (pH 7.4): 196.85; (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: 1.596; (14)Molar Refractivity: 39.5 cm3; (15)Molar Volume: 115.9 cm3; (16)Polarizability: 15.66×10-24cm3; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 104 °C; (20)Enthalpy of Vaporization: 49.17 kJ/mol; (21)Boiling Point: 235.8 °C at 760 mmHg; (22)Vapour Pressure: 0.032 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1O)C
(2)InChI: InChI=1/C7H7NO3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3
(3)InChIKey: AQDKZPFDOWHRDZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H7NO3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3
(5)Std. InChIKey: AQDKZPFDOWHRDZ-UHFFFAOYSA-N