129-66-8O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]KAQBNBSMMVTKRN-UHFFFAOYSA-NTrinitrobenzoic acid appears as a yellow crystalline solid high explosive. Easily ignited and burns vigorously when dry. Insoluble in water. Will burn when wet, although may be difficult to ignite. Produces toxic oxides of nitrogen during combustion. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.
129-66-8DTXSID70861781Nitrogen Compounds -> Nitrobenzoic Acids
Flammable agents - 4th degree
Soluble in acetone, methanol; slightly soluble in benzene; at 25 °C: 26.6% in alcohol, 14.7% in ether
In water, 2.012X10+4 mg/L at 23.5 °C
Sublimes with decomposition forming CO2 and trinitrobenzene.
When heated to decomposition it emits toxic fumes of /nitroxides./
228.7 °C (decomposes)
White needles from water crystallizing with 2 molecules of water; MP: 160 °C with decomposition, at 55 °C gives up 2 water molecules; soluble in alcohol /2,3,6-Trinitrobenzoic acid/
Yellow needles from ether crystallizing with 1 molecule of ether; MP: 168 °C with decomposition; soluble in ether /3,4,5-Trinitrobenzoic acid/
Yellow leaves or plates from water; MP: 194.5 °C with decomposition; soluble in alcohol, ether, benzene, water /2,4,5-Trinitrobenzoic acid/
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Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P250, P280, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
Explosive 1.1D
Flammable Solid
Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
· Flammable/combustible material.
· Flammable/combustible material.
Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
· Some are toxic and may be fatal if inhaled, ingested or absorbed through skin. Specifically, Dinitrophenol, wetted (UN1320); Dinitrophenolates, wetted (UN1321), Sodium dinitro-o-cresolate, wetted (UN1348); and Barium azide, wetted (UN1571) are known to be toxic.
· Some are toxic and may be fatal if inhaled, ingested or absorbed through skin. Specifically, Dinitrophenol, wetted (UN1320); Dinitrophenolates, wetted (UN1321), Sodium dinitro-o-cresolate, wetted (UN1348); and Barium azide, wetted (UN1571) are known to be toxic.
The disposition and metabolism of 2,4,6-trinitrotoluene (TNT) was studied in rats, mice, rabbits, and dogs following oral, dermal or intratracheal admin of single doses of 14(C)-ring labeled compound. TNT was extensively metabolized in all species. Trinitrobenzoic acid was detected occasionally.
Used as a pH indicator, intermediate for CI developer 19 (phloroglucinol), and in explosive compositions; [HSDB]
Used as an indicator for pH ranges between 12.0-13.4
Explosive compositions
CHEM INT FOR CI DEVELOPER 19 (PHLOROGLUCINOL)
(1972) PROBABLY LESS THAN 4.54X10+5 G
(1975) PROBABLY LESS THAN 4.54X10+5 G
Verwenden2,4,6-Trinitrobenzoic Acid is used in preparation of Trimethylbenzoyl Chloride.
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Wird geladen…
Trinitrobenzoic acid appears as a yellow crystalline solid high explosive. Easily ignited and burns vigorously when dry. Insoluble in water. Will burn when wet, although may be difficult to ignite. Produces toxic oxides of nitrogen during combustion. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.
Trinitrobenzoic acid, wetted with not less than 30% water appears as a sludge of yellow crystals. The dry material is a high explosive, is easily ignited and burns very vigorously. The wet material can burn but may require some effort to ignite. Insoluble in water. Produces toxic oxides of nitrogen during combustion.
Solid; [Merck Index] Off-white crystalline solid; [Chem Service MSDS]
Sublimes with decomposition forming carbon dioxide and trinitrobenzene
Dangerous, explodes by heat or shock
When heated to decomposition it emits toxic fumes of NOx.
3368 113
1355 113
Acids, Strong Oxidizing
Acids, Carboxylic
Highly Flammable
Highly Flammable
Aromatic nitro compounds, such as TRINITROBENZOIC ACID, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. All heavy metal salts of this compound are explosive on heating or impact.
Aromatic nitro compounds, such as TRINITROBENZOIC ACID, WETTED WITH NOT LESS THAN 30% WATER, are oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. May be ignited by heat, sparks or flames. DRIED OUT material may explode if exposed to heat, flame, friction or shock; Treat as an explosive. All heavy metal salts of this compound are explosive on heating or impact.
/GUIDE 113: FLAMMABLE SOLIDS - TOXIC (WET/DESENSITIZED EXPLOSIVE)/ Fire or Explosion: Flammable/combustible material. May be ignited by heat, sparks or flames. DRIED OUT material may explode if exposed to heat, flame, friction or shock; treat as an explosive (GUIDE 112). Keep material wet with water or treat as an explosive (Guide 112). Runoff to sewer may create fire or explosion hazard. /Trinitrobenzoic acid, wetted with not less than 10% water; Trinitrobenzoic acid, wetted with not less than 30% water/
/GUIDE 113: FLAMMABLE SOLIDS - TOXIC (WET/DESENSITIZED EXPLOSIVE)/ Health: Some are toxic and may be fatal if inhaled, swallowed or absorbed through skin. Contact may cause burns to skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may cause pollution. /Trinitrobenzoic acid, wetted with not less than 10% water; Trinitrobenzoic acid, wetted with not less than 30% water/
/GUIDE 113: FLAMMABLE SOLIDS - TOXIC (WET/DESENSITIZED EXPLOSIVE)/ Public Safety: CALL Emergency Response Telephone Number. ... Isolate spill or leak area immediately for at least 100 meters (330 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Ventilate closed spaces before entering. /Trinitrobenzoic acid, wetted with not less than 10% water; Trinitrobenzoic acid, wetted with not less than 30% water/
/GUIDE 113: FLAMMABLE SOLIDS - TOXIC (WET/DESENSITIZED EXPLOSIVE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Trinitrobenzoic acid, wetted with not less than 10% water; Trinitrobenzoic acid, wetted with not less than 30% water/
For more DOT Emergency Guidelines (Complete) data for 2,4,6-Trinitrobenzoic acid (8 total), please visit the HSDB record page.
Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
General First Aid:
General First Aid:
· Wear positive pressure self-contained breathing apparatus (SCBA).
· Wear positive pressure self-contained breathing apparatus (SCBA).
If material on fire or involved in fire: Dangerously explosive. Do not fight fires in a cargo of explosives. Evacuate area and let burn. /Trinitrobenzoic acid, dry/
Evacuation: If fire becomes uncontrollable, consider evacuation of one (1) mile radius. /Trinitrobenzoic acid, dry/
If material on fire or involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Cover all suspected material with wet sand or earth to prevent ignition until material can be permanently disposed of. /Trinitrobenzoic acid, wetted with not less than 10% water by mass/
If material on fire or involved in fire: Dangerously explosive. Flood with water. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. /Trinitrobenzoic acid, wetted with not less than 30% water by mass/
For more Fire Fighting Procedures (Complete) data for 2,4,6-Trinitrobenzoic acid (6 total), please visit the HSDB record page.
Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep spilled material wet. Wet spilled material bfore picking it up. Do not attempt to sweep up dry material. /Trinitrobenzoic acid, dry/
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Cover all suspected material with wet sand or earth to prevent ignition until material can be permanently disposed of. /Trinitrobenzoic acid, wetted with not less than 10% water by mass/
Personnel protection: Avoid breathing dusts, and fumes from burning material ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. /Trinitrobenzoic acid, dry; trinitrobenzoic acid, wetted with not less than 10% water by mass/
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Keep spilled material wet. Do not attempt to sweep up dry material. /Trinitrobenzoic acid, wetted with not less than 30% water by mass/
Personnel protection: Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. /Trinitrobenzoic acid, wetted with not less than 30% water by mass/
Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
Immediate precautionary measure
Immediate precautionary measure
Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
Wear appropriate chemical protective gloves and goggles.
CARGO Fire
CARGO Fire
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that 2,4,6-trinitrobenzoic acid is expected to have moderate mobility in soil(SRC). However, the pKa of 2,4,6-trinitrobenzoic acid is 0.65(3), indicating that this compound will almost entirely exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of 2,4,6-trinitrobenzoic acid from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.62X10-14 atm-cu m/mole(SRC), using a fragment constant estimation method(5). 2,4,6-Trinitrobenzoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.23X10-9 mm Hg at 25 °C(SRC), determined from a fragment constant method(6). After 180 minutes, very little oxygen consumption by phenol-adapted biological cultures occurred with 2,4,6-trinitrobenzoic acid(7), suggesting that biodegradation is not an important environmental fate process in soil(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that 2,4,6-trinitrobenzoic acid is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.62X10-14 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). A pKa of 0.65(5) indicates 2,4,6-trinitrobenzoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(6). According to a classification scheme(7), an estimated BCF of 3.2(SRC), from an estimated log Kow of 0.23(8) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). After 180 minutes, very little oxygen consumption by phenol-adapted biological cultures occurred with 2,4,6-trinitrobenzoic acid(9), suggesting that biodegradation is not an important environmental fate process in water(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2,4,6-trinitrobenzoic acid, which has an estimated vapor pressure of 7.23X10-9 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase 2,4,6-trinitrobenzoic acid may be removed from the air by wet or dry deposition(SRC). 2,4,6-Trinitrobenzoic acid does not contain chromophores that absorb at wavelengths >290 nm(3) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
/AQUATIC SPECIES/ Aqueous samples containing various explosives, their reduced metabolites, as well as related compounds were subjected to the luminescent bacterium Vibrio fischeri NRRLB-11177 to determine ... the EC50 values of 24 test compounds ... /2,4,6-trinitrobenzoic acid/ (TNBA)must be classified in the category "very toxic to aquatic organisms."
2,4,6-Trinitrobenzoic acid was detected at 0.80 mg/L (0.34% of total sample) in raw trinitrotoluene wastes (pH of 2) from a counter-current, continuous flow trinitrotoluene manufacturing process(1). 2,4,6-Trinitrobenzoic acid was detected, not quantified, in the leachate water of a disposal site of a former ammunition plant in Stadtallendor, Germany, sampling date not reported(2).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,4,6-trinitrobenzoic acid can be estimated to be 200(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,4,6-trinitrobenzoic acid is expected to have moderate mobility in soil. However, the pKa of 2,4,6-trinitrobenzoic acid is 0.65(3), indicating that this compound will almost entirely exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
AEROBIC: After 180 minutes, very little oxygen consumption by phenol adapted biological cultures occurred with 2,4,6-trinitrobenzoic acid(1). The amounts of oxygen consumed after the 180 minute test time are 53 uL (endogenous), 61 uL (cells plus 100 mg/L 2,4,6-trinitrobenzoic acid), and 342 uL (cells plus phenol, after 90 minutes) which results in a ratio of only 1.2 endogenous to 2,4,6-trinitrobenzoic acid oxygen consumption(1). The trinitro derivatives of benzoic acid were more readily reduced in the presence of enzyme preparations from Veillonella alkalescens than the toluene or phenol derivatives and are degraded more slowly than the mononitro and dinitro derivatives of benzoic acid, toluene, or phenol(2). Three moles of hydrogen are required to reduce each nitro group to the amino group(2). These data suggest that biodegradation is not expected to be an important fate process in the environment(SRC).
An estimated BCF of 3.2 was calculated in fish for 2,4,6-trinitrobenzoic acid(SRC), using an estimated log Kow of 0.23(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
The Henry's Law constant for 2,4,6-trinitrobenzoic acid is estimated as 2.62X10-14 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2,4,6-trinitrobenzoic acid is expected to be essentially nonvolatile from water surfaces(2). 2,4,6-Trinitrobenzoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.23X10-9 mm Hg(SRC), determined from a fragment constant method(3).
/LABORATORY ANIMALS: Acute Exposure/ Intraperitoneal administration of meta-nitrobenzoic, 3,5-dinitrobenzoic, 2,4,6-trinitrobenzoic and 3,5-dinitro-4-methylbenzoic acids to white mice in a dose equal to the LD50 induced an increase in the methemoglobin content in their blood. Total activity of dehydrogenases of the pentophosphate path, content of 2,3-diphosphoglycerate increase in response to the intoxication evoked by the mentioned acids. The acute intoxication does not practically change the activity of the key enzymes of antioxidant protection: superoxide-dismutase, catalase and glutathione peroxidase.
/ALTERNATIVE and IN VITRO TESTS/ 2,4,6-Trinitrobenzoic acid accelerated the release of acetylcholine from the nerve endings and induced contractions in isolated small intestine from guinea pigs.
2,4,6-Trinitrobenzoic acid is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(1). 2,4,6-Trinitrobenzoic acid does not contain chromophores that absorb at wavelengths >290 nm(1) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
Occupational exposure to 2,4,6-trinitrobenzoic acid may occur through inhalation and dermal contact with this compound at workplaces where 2,4,6-trinitrobenzoic acid is produced or used(SRC). Mist from hot charges, leaking lines, steaming operations, and hot drainage ditches are sources of skin exposure and contamination of the work environment in the production of aromatic nitro compounds(1).
Trinitrobenzoic acid
A Commercial Grade
5000
A Commercial Grade
400
Explosive chemical that can be released at a facility.