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| CAS No.: | 16600-92-3 |
|---|---|
| Name: | 2-NITROPHLOROGLUCINOL |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C6H5NO5 |
| Molecular Weight: | 171.109 |
| Synonyms: | Phloroglucinol,nitro- (8CI);1,3,5-Trihydroxy-2-nitrobenzene;1-Nitro-2,4,6-trihydroxybenzene;2-Nitro-1,3,5-benzenetriol;Nitrophloroglucinol; |
| EINECS: | 240-656-7 |
| Density: | 1.771 g/cm3 |
| Melting Point: | 189-193 °C(lit.) |
| Boiling Point: | 343 °C at 760 mmHg |
| Flash Point: | 159.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 106.51000 |
| LogP: | 1.23480 |
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Specification
The 1,3,5-Benzenetriol,2-nitro- is an organic compound with the formula C6H5NO5. The IUPAC name of this chemical is 2-Nitrobenzene-1,3,5-triol. With the CAS registry number 16600-92-3, it is also named as Nitrophloroglucinol. The product's categories are Aromatic Hydrocarbons (substituted) and Derivatives; Organic Building Blocks; Oxygen Compounds; Polyols. Besides, it should be stored in a sealed, dry, well-ventilated, lightproof place.
Physical properties about 1,3,5-Benzenetriol,2-nitro- are: (1)ACD/LogP: 1.14; (2)ACD/LogD (pH 5.5): 0.47; (3)ACD/LogD (pH 7.4): -1.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 73.51 Å2; (12)Index of Refraction: 1.727; (13)Molar Refractivity: 38.44 cm3; (14)Molar Volume: 96.5 cm3; (15)Polarizability: 15.24×10-24 cm3; (16)Surface Tension: 103.2 dyne/cm; (17)Density: 1.771 g/cm3; (18)Flash Point: 159.7 °C; (19)Enthalpy of Vaporization: 61.01 kJ/mol; (20)Boiling Point: 343 °C at 760 mmHg; (21)Vapour Pressure: 3.64E-05 mmHg at 25 °C.
Preparation: this chemical can be prepared by Benzene-1,3,5-triol. This reaction will need reagent diluted nitric acid.
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Uses of 1,3,5-Benzenetriol,2-nitro-: it can be used to produce 1,3,5-Trimethoxy-2-nitro-benzene at temperature of 125 °C. It will need reagent Na2CO3.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H5NO5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H
(2)InChIKey: QSVQZFVXAUGEMT-UHFFFAOYAN
(3)Std. InChI: InChI=1S/C6H5NO5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H
(4)Std. InChIKey: QSVQZFVXAUGEMT-UHFFFAOYSA-N