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2,4-Dimethyl-6-nitrophenol

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Name

2,4-Dimethyl-6-nitrophenol

EINECS 238-436-0
CAS No. 14452-34-7 Density 1.263 g/cm3
PSA 66.05000 LogP 2.44040
Solubility N/A Melting Point 71°C
Formula C8H9NO3 Boiling Point 260.3 °C at 760 mmHg
Molecular Weight 167.164 Flash Point 113.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 14452-34-7 (2,4-DIMETHYL-6-NITROPHENOL) Hazard Symbols N/A
Synonyms

2,4-Xylenol,6-nitro- (6CI,7CI,8CI);2,4-Dimethyl-6-nitrophenol;2-Nitro-4,6-dimethylphenol;4,6-Dimethyl-2-nitrophenol;

Article Data 21

2,4-Dimethyl-6-nitrophenol Specification

This chemical is called Phenol, 2,4-dimethyl-6-nitro-, and its CAS registry number is 14452-34-7. With the molecular formula of C8H9NO3, its molecular weight is 167.16. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Phenol, 2,4-dimethyl-6-nitro- can be summarised as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 58.34; (6)ACD/BCF (pH 7.4): 42.27; (7)ACD/KOC (pH 5.5): 638.41; (8)ACD/KOC (pH 7.4): 462.52; (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: 1.585; (14)Molar Refractivity: 44.32 cm3; (15)Molar Volume: 132.2 cm3; (16)Polarizability: 17.57×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 113.2 °C; (20)Enthalpy of Vaporization: 51.8 kJ/mol; (21)Boiling Point: 260.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00762 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1cc(cc(c1O)C)C
2.InChI: InChI=1/C8H9NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3
3.InChIKey: KJRCHILWKQLEBC-UHFFFAOYAL

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