2-Methoxy-4-nitrophenol

Reported in EPA TSCA Inventory.

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.

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.

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