Nitrate
Grundinformationen
- CAS
14797-55-8- Standard-SMILES
O=[N+]([O-])[O-]- InChIKey
NHNBFGGVMKEFGY-UHFFFAOYSA-N- Summenformel
- NO3-
- Durchschnittliche Molmasse
- 62,005 g/mol
- Monoisotopische Masse
- 61,98781786
Überblick
Nitrate is a nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3. It is a nitrogen oxoanion, a member of reactive nitrogen species and a monovalent inorganic anion. It is a conjugate base of a nitric acid.
Namen und Bezeichner
- Bevorzugter Name
- Nitrate
- IUPAC
- nitrate
- Englischer Name
- NITRATE
- Summenformel
- NO3-
- Molmasse
- 62
Namen und Synonyme
nitrateNITRATE ION14797-55-8NitratesNitrate(1-)trioxonitrate(1-)trioxidonitrate(1-)INORGANIC NITRATEST93E9Y2844DTXSID5024217CHEBI:17632RefChem:6470
Weitere Namen anzeigen
NITRATE STANDARDSEKKEN-KNANO2 99% MINSODIUM NITRATNITROGEN STANDARDNITRATE IC STANDARDNITRATE ION STANDARD
DTXCID904217NO3-MFCD00144920UN3218CHEMBL186200Nitrate (6CI,7CI,8CI,9CI)UN1447NO3
Datenbank-Bezeichner
- CAS
14797-55-8- PubChem CID
- 943
- DTXSID
DTXSID5024217- ChEMBL
CHEMBL186200- ChEBI
CHEBI:17632- UNII
- T93E9Y2844
- Nikkaji
- J215.749G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,4
- Polarare Oberfläche (TPSA)
- 62,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 4
- Formalladung
- -1
- Komplexität
- 18,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNutrient
SpringerMaterials PropertiesSchoenflies notation
PesticidesPesticide -> EPA IRIS
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Physikochemische Eigenschaften
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Wasserlöslichkeit
- Miscible with water.
- InChI
- InChI=1S/NO3/c2-1(3)4/q-1
- InChIKey
- NHNBFGGVMKEFGY-UHFFFAOYSA-N
- SMILES
- [N+]([O-])([O-])=O
- EPA chemische Informationen
- Nitrate (14797-55-8)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Regulatory Information
Hazard Traits - Hematotoxicity
Regulation (EC) No 1831/2003 (amended)
DOT LabelOxidizer
Fire HazardsExcerpt from ERG Guide 140 [Oxidizers]:
Health HazardsExcerpt from ERG Guide 140 [Oxidizers]:
Reactive GroupNitrate and Nitrite Compounds, Inorganic
Reactivity AlertsExplosive
Reactivity Profile
Mixtures of metal/nonmetal nitrates with alkyl esters may explode, owing to the formation of alkyl nitrates; mixtures 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.
UN3218
Div 5.1 Oxidizer (49 eCFR § 173.127)
PG II: the degree of danger presented by the material is medium
Nitrates, inorganic, n.o.s.
UN1477
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 140 [Oxidizers]:
First AidExcerpt from ERG Guide 140 [Oxidizers]:
Nonfire Spill ResponseExcerpt from ERG Guide 140 [Oxidizers]:
Isolation and EvacuationExcerpt from ERG Guide 140 [Oxidizers]:
Protective Action Criteria (PAC)
0.16 [ppm]
24 [ppm]
92 [ppm]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 140 [Oxidizers]:
Toxikologische Informationen
Toxicological InformationRanking: 186 (total points: 918.44)
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 OrgansHematologic
Health EffectsNitrate and nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (L1137)
Adverse EffectsMain 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:
Exposure RoutesOral (L1137) ; inhalation (L1137)
Toxicity Summary
There is currently no evidence of the teratogenicity or carcinogenicity potential of nitrate.
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
Nitrate
Hematologic
1.6 mg/kg-day
Carcinogen ClassificationIngested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (L135)
Toxicity DataLD50: 138 ppm over 30 minutes (Inhalation, Rat) (A677)
RAIS Toxicity Values
4
ATSDR Final
1.6
IRIS Current
4
ATSDR Final
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (L1137)
Tissue LocationsAdipose Tissue
Verwendung und Herstellung
UsesNitrates and nitrites are naturally produced and may also be found in pesticides. Exposure usually occurs from contact with contaminated soil, food water. Nitrates may also be found in certain drugs. (L1137)
Use ClassificationFood Additives -> COLOUR_RETENTION_AGENT; PRESERVATIVE -> JECFA Functional Classes
Anwendungen
BeschreibungNitrate 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.
VerwendenIn 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.
Ergänzende Hinweise
Definitionnitrate: A salt or ester of nitric acid.
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