Nitrate
NO3 · NITRATE STANDARD · NITRATE · SEKKEN-K · NITRATE ION · NANO2 99% MIN · SODIUM NITRAT · NITROGEN STANDARD
Identifiers & Physical Properties
| CAS No. | 14797-55-8 |
|---|---|
| Molecular formula | NO3- |
| Average molar mass | 62.005 g/mol |
| Monoisotopic mass | 61.98781786 g/mol |
| SMILES | O=[N+]([O-])[O-] |
| InChIKey | NHNBFGGVMKEFGY-UHFFFAOYSA-N |
| PubChem CID | 943 |
| ChEMBL | CHEMBL186200 |
| ChEBI | CHEBI:17632 |
| DTXSID | DTXSID5024217 |
Chemical & Physical Properties
| XLogP | -1.4 |
|---|---|
| Topological polar surface area | 62.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 4 |
| Formal charge | -1 |
| Complexity | 18 |
| Physical Description | Solid |
| Storage conditions | 2-8°C |
| Physical state | Liquid |
| Color | Clear colorless |
| Solubility | Miscible with water. |
| InChI | InChI=1S/NO3/c2-1(3)4/q-1 |
| InChIKey | NHNBFGGVMKEFGY-UHFFFAOYSA-N |
| EPA Primary Drinking Water Standard | MCL:10,MCLG:10 |
| SMILES | [N+]([O-])([O-])=O |
| FDA 21 CFR | 165.110 |
| EWG's Food Scores | 1 |
| FDA UNII | T93E9Y2844 |
| EPA Substance Registry System | Nitrate (14797-55-8) |
| Toxicological Profile|ATSDR | NITRATE|Toxicological Profile|ATSDR |
Safety & Regulations
| Regulatory information | Hazard Traits - HematotoxicityAuthoritative List - CA MCLsCWA 303(d)Report - if used as a fragrance or flavor ingredientRegulation (EC) No 1831/2003 (amended) |
|---|---|
| DOT label | Oxidizer |
| Fire hazards | Excerpt from ERG Guide 140 [Oxidizers]:CAUTION: Ammonium nitrate products may explode if involved in fire or contaminated with hydrocarbons (fuels), organic matter, other contaminants or when hot molten and contained. Treat as an explosive (ERG Guide 112). These substances will accelerate burning when involved in a fire. Some may decompose explosively when heated or involved in a fire. May explode from heat or contamination. Some will react explosively with hydrocarbons (fuels). May ignite combustibles (wood, paper, oil, clothing, etc.). Containers may explode when heated. Runoff may create fire or explosion hazard. (ERG, 2024) |
| Health hazards | Excerpt from ERG Guide 140 [Oxidizers]:Inhalation, ingestion or contact (skin, eyes) with vapors or substance may cause severe injury, burns or death. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024) |
| Reactive group | Nitrate and Nitrite Compounds, Inorganic |
| Reactivity Alerts | ExplosiveStrong Oxidizing Agent |
| Reactivity Profile | Mixtures of metal/nonmetal nitrates with alkyl esters may explode, owing to the formation of alkyl nitratesmixtures of a nitrate with phosphorus, tin (II) chloride, or other reducing agents may react explosively [Bretherick 1979 p. 108-109]. |
| DOT Hazard Classification | Nitrates, inorganic, aqueous solution, n.o.s.UN3218Div 5.1 Oxidizer (49 eCFR § 173.127)PG II: the degree of danger presented by the material is mediumPG III: the degree of danger presented by the material is minorFor more information about the packing group assignment, please visit 49 eCFR § 173Nitrates, inorganic, n.o.s. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Fire fighting | Excerpt from ERG Guide 140 [Oxidizers]:SMALL FIRE: Use water. Do not use dry chemicals or foams. CO2 or Halon® may provide limited control.LARGE FIRE: Flood fire area with water from a distance. Do not move cargo or vehicle if cargo has been exposed to heat. If it can be done safely, move undamaged containers away from the area around the fire.FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: For ammonium nitrate products: Do not fight cargo fire. Withdraw, evacuate and isolate area for at least 1600 meters (1 mile). Treat as an explosive (ERG Guide 112). Do not enter area for 24 hours or until expert advice has been provided. Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzlesif this is impossible, withdraw from area and let fire burn. (ERG, 2024) |
| First aid | Excerpt from ERG Guide 140 [Oxidizers]:Refer to the "General First Aid" section. Specific First Aid: Contaminated clothing may be a fire risk when dry. (ERG, 2024) |
| Nonfire spill response | Excerpt from ERG Guide 140 [Oxidizers]:Keep combustibles (wood, paper, oil, etc.) away from spilled material. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Do not get water inside containers.SMALL DRY SPILL: With clean shovel, place material into clean, dry container and cover looselymove containers from spill area.SMALL LIQUID SPILL: Use a non-combustible material like vermiculite or sand to soak up the product and place into a container for later disposal.LARGE SPILL: Dike far ahead of liquid spill for later disposal. (ERG, 2024) |
| Isolation and Evacuation | Excerpt from ERG Guide 140 [Oxidizers]: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.LARGE SPILL: Consider initial downwind evacuation for at least 100 meters (330 feet).FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. If ammonium nitrate products are in a tank, rail car or truck and involved in a fire, ISOLATE for 1600 meters (1 mile) in all directionsalso, initiate evacuation including emergency responders for 1600 meters (1 mile) in all directions. (ERG, 2024) |
| Protective Action Criteria (PAC) | 0.16 [ppm]24 [ppm]92 [ppm] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 140 [Oxidizers]:Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024) |
| Treatment | Methemoglobinemia can be treated with supplemental oxygen and methylene blue 1% solution administered intravenously slowly over five minutes followed by IV flush with normal saline. Methylene blue restores the iron in hemoglobin to its normal (reduced) oxygen-carrying state. (L1613) |
| Target organs | Hematologic |
| Health effects | Nitrate and nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (L1137) |
| Adverse effects | Main adverse effects from nitrate use come from dilation of the venous blood vessels. Other side effects can be reflexes from the activation of the sympathetic nervous system or re-exposure after withdrawal. These side effects include:* Headaches (greater than 10%)* Hypotension (0.1 to 10%)* Cutaneous flushing (0.1 to 10%)* Syncope (0.1 to 10%)* Reflex tachycardia (0.1 to 10%)* Methemoglobinemia (rare)* Monday disease (tachycardia, headache, and dizziness during re-exposure) |
| Exposure routes | Oral (L1137)inhalation (L1137) |
| Toxicity summary | There is currently no evidence of the teratogenicity or carcinogenicity potential of nitrate.Methemoglobinemia can be caused by nitrate toxicity in rare cases. Generally, supportive care and cessation of nitrate should be sufficient for most cases of methemoglobinemia. Methylene blue is an effective antidote if needed.Nitrate's toxicity is a result of it's conversion to nitrite once in the body. Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (A2450, L1613) |
| Signs and Symptoms | Nitrate and nitrite poisoning causes methemoglobinemia. Symptoms include cyanosis, cardiac dysrhythmias and circulatory failure, and progressive central nervous system (CNS) effects. CNS effects can range from mild dizziness and lethargy to coma and convulsions. (L1137) |
| EPA IRIS Information | NitrateHematologic1.6 mg/kg-day |
| Carcinogen Classification | Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (L135) |
| Toxicity Data | LD50: 138 ppm over 30 minutes (Inhalation, Rat) (A677) |
| RAIS Toxicity Values | 4ATSDR Final1.6IRIS Current |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | Nitrogen, Nitrate00618Nutrient10000Nitrate (as N)Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
Applications & Uses
Description
Nitrate is commonly found in drinking water sources especially in agricultural areas where nitrogen fertilizer is used, and where unregulated shallow private wells are more at the risk of contamination. The World Health Organization (WHO) guideline of 50 ppm and the US maximum contaminant level (MCL) of 45 ppm for nitrate in drinking water have been established for protecting infants from methemoglobinemia, commonly known as blue baby syndrome. The health protective value continues to be a subject of public health interest for many years, with varying opinion on whether it is too high or too low. Evaluation of nitrate will need to include consideration of nitrite because both are closely related in the nitrogen cycle in the environment and the body, and nitrite plays a major role in inducing toxicity after its formation from nitrate. More recently, reports of nitrate in drinking water, especially at levels higher than 50 ppm, have been associated with other health effects other than methemoglobinemia. This toxicological review provides an update on the health effects of nitrate with a focus on methemoglobinemia, reproductive and developmental effects, potential carcinogenicity, and especially endocrine/thyroid effects.
Uses
Nitrate is the salt of nitric acid. it is used in meat curing to develop and stabilize the pink color associated with cured meat. by itself, it is not effective in producing the curing reaction until it is chemi- cally reduced to nitrite. it has an effect on flavor and also functions as an antioxidant. it is available as sodium and potassium nitrate, with the sodium form being more common.
Uses
In the treatment of angina pectoris; in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals.
Uses
Nitrate is used in fertilizers; in the manufacture of nitrites, nitrous oxide, explosives, pyrotechnics, matches, freezing mixtures, and special cements; as a coloring agent and preserving additive in food; for coagulation of latexes; in the nuclear industry; and for odor (sulfide) and corrosion control in aqueous systems.
General Description
Crystalline solids. Salts of nitrate, such as ammonium nitrate, potassium nitrate, and sodium nitrate.