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4-Nitroguaiacol

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Name

4-Nitroguaiacol

EINECS 221-839-0
CAS No. 3251-56-7 Density 1.367 g/cm3
PSA 75.28000 LogP 1.83220
Solubility insoluble in water Melting Point 99-104 °C
Formula C7H7NO4 Boiling Point 335.2 °C at 760 mmHg
Molecular Weight 169.137 Flash Point 156.5 °C
Transport Information N/A Appearance yellow solid
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3251-56-7 (2-Methoxy-4-nitrophenol) Hazard Symbols IrritantXi
Synonyms

4-Nitro-2-methoxyphenol;4-Nitroguaiacol;NSC 26149;Guaiacol,4-nitro- (6CI);2-Methoxy-4-nitrophenol;3-Methoxy-4-hydroxynitrobenzene;3-Nitro-6-hydroxyanisole;4-Hydroxy-3-methoxynitrobenzene;

Article Data 53

4-Nitroguaiacol Consensus Reports

Reported in EPA TSCA Inventory.

4-Nitroguaiacol Specification

The 2-Methoxy-4-nitrophenol, with the CAS registry number 3251-56-7, is also known as 4-Nitroguaiacol. It belongs to the product categories of Aromatic Phenols; Aromatics. Its EINECS registry number is 221-839-0. This chemical's molecular formula is C7H7NO4 and molecular weight is 169.13478. Its IUPAC name is called 2-methoxy-4-nitrophenol. What's more, the product should be sealed and stored in cool and dry place. 2-Methoxy-4-nitrophenol is used as a novel 4-nitroguaiacol-degrading actinobacterium.

Physical properties of 2-Methoxy-4-nitrophenol: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 9.08; (5)ACD/BCF (pH 7.4): 2.91; (6)ACD/KOC (pH 5.5): 167.55; (7)ACD/KOC (pH 7.4): 53.68; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 41.35 cm3; (13)Molar Volume: 123.7 cm3; (14)Surface Tension: 53.4 dyne/cm; (15)Density: 1.367 g/cm3; (16)Flash Point: 156.5 °C; (17)Enthalpy of Vaporization: 60.12 kJ/mol; (18)Boiling Point: 335.2 °C at 760 mmHg; (19)Vapour Pressure: 6.26E-05 mmHg at 25°C.

Preparation of 2-Methoxy-4-nitrophenol: this chemical can be prepared by 2-methoxy-4-nitro-aniline. This reaction will need reagent NaOH-solution.

2-Methoxy-4-nitrophenol can be prepared by 2-methoxy-4-nitro-aniline

Uses of 2-Methoxy-4-nitrophenol: it can be used to produce 4-Amino-2-methoxy-phenol. This reaction will need reagent H2, solvent methanol and catalyst 5percent Pd/C.

2-Methoxy-4-nitrophenol can be used to produce 4-Amino-2-methoxy-phenol

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])O
(2)InChI: InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3
(3)InChIKey: IZLVFLOBTPURLP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 221

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