2-Methyl-6-nitrobenzoic acid
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2-Methyl-6-nitrobenzoic acid
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CAS No:
13506-76-8
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Formula:
C8H7NO4
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Chemical Name:
2-Methyl-6-nitrobenzoic acid
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Synonyms:
Benzoic acid,2-methyl-6-nitro-;o-Toluic acid,6-nitro-;2-Methyl-6-nitrobenzoic acid;6-Methyl-2-nitrobenzoic acid;6-Nitro-o-toluic acid;27329-28-8
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CAS No:
Description
light orange to yellow-brown crystalline powderPale yellow needles or tan powder.
2-methyl-6-nitrobenzoic acid appears as pale yellow needles or tan powder. (NTP, 1992)
2-methyl-6-nitrobenzoic acid appears as pale yellow needles or tan powder. (NTP, 1992)
2-Methyl-6-nitrobenzoic acid Basic Attributes
181.15
181.15
2050804
236-833-3
JM85Y56DX1
2811
DTXSID7025639
29163990
Characteristics
83.1
0.8
light orange to yellow-brown crystalline powder
1.4283 (rough estimate)
151-153 °C
314.24°C (rough estimate)
159.6±13.0 °C
1.5468 (estimate)
less than 1 mg/mL at 68° F (NTP, 1992)
1.38E-05mmHg at 25°C
Insoluble in water.
Acids, Carboxylic
2-METHYL-6-NITROBENZOIC ACID is a nitrated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.
Safety Information
NONH for all modes of transport
3
36/37/38-20/21/22
22-24/25
Xn
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this chemical can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992)
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
2-Methyl-6-nitrobenzoic acid Use and Manufacturing
1, 2-dimethyl-3-nitrobenzene (453 mg, 3 mmol, 1.0 eq)Sodium hydroxide (0.9 g, 22.5 mmol, 7.5 eq)Was added to a 100 ml autoclave, Add ethanol 5ml;After charging oxygen three times, Passing oxygen gas (pressure 1.8MPa), In the oil bath temperature control 65 for 24 hoursAfter the reaction was diluted with methanol, Neutralization PH = 6-7, The solvent was removed under reduced pressure, After adding ethyl acetate, the mixture was dried and filtered.Separated by chromatography, 1, 2-dimethyl-3-nitrobenzene 47 mg (0.31 mmol)1, 2-dimethyl-3-nitrobenzene conversion was 90percentTo give 350 mg (1.93 mmol) of 2-nitro-5-methylbenzoic acid, The yield was 64percent.
2-Methyl-nitrobenzoic acid acts as herbicide due to the anthranilic acid moiety within the substructure.
Computed Properties
Molecular Weight:181.15
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:83.1
Heavy Atom Count:13
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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