基本情報
- 標準SMILES
N=C(N)N.O=[N+]([O-])O- InChIKey
CNUNWZZSUJPAHX-UHFFFAOYSA-N- 分子式
- CH5N3.HNO3
- 平均分子量
- 122.08 g/mol
- 単同位体質量
- 122.04399005
概要
Guanidine nitrate appears as a white crystalline solid. Soluble in water. Takes some effort to ignite but once ignited it burns with increasing vigor as the fire progresses. If contaminated with combustible materials it accelerates their burning. Prolonged exposure to fire or heat may result in an explosion. Produces toxic oxides of nitrogen during combustion.
名称と識別子
- 優先名称
- Guanidine Nitrate
- IUPAC
- guanidine;nitric acid
- 現地名
- 硝酸 グアニジン
- 英語名
- Guanidine nitrate
- 分子式
- CH6N4O3
- 分子量
- 122.08
名称と別名
名称をさらに表示
データベース識別子
- CAS
506-93-4、52470-25-4- PubChem CID
- 10481
- DTXSID
DTXSID3027164- UNII
- B542239A4E
- EC Number
- 208-060-1
物性
構造計算による物性
- 極性表面積
- 142 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 51
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Nitrates and Nitrites
Reactive agents - 3rd degree
Solubility
Sol in 10 parts water; sol in alcohol
SLIGHTLY SOL IN ACETONE
Solubility in water, g/100ml at 20 °C: 16
Melting Point
214 °C
217 °C
Physical Description
Guanidine nitrate appears as a white crystalline solid. Soluble in water. Takes some effort to ignite but once ignited it burns with increasing vigor as the fire progresses. If contaminated with combustible materials it accelerates their burning. Prolonged exposure to fire or heat may result in an explosion. Produces toxic oxides of nitrogen during combustion.
Dry Powder; Large Crystals; Liquid
White solid; [Hawley] White crystalline powder; [MSDSonline]
WHITE SOLID IN VARIOUS FORMS.
物理化学的性質
- 融点
- 213 · 213-215 °C(lit.)
- 沸点
- 227.45 °C · 227.45°C (rough estimate)
- 比重(密度)
- 1.44 · 1.44
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.4164 · 1.4164 (estimate)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 50 mg/mL、透明~微濁、無色 · 水:可溶50mg/mL、透明~微濁、無色
- 酸解離定数(Pka)
- 10.2 · 10.2[at 20 ℃]
- 外見
- crystalline powder
- 色
- White
- 臭い (Odor)
- Odorless
- PH
- 4.9 · 4.9 (165g/l, H2O, 25℃)
- 水溶解度
- 130 g/L · 130g/L(20℃)
- Merck
- 14 · 14,4562
- BRN
- 3596600 · 3596600
- 安定性
- 加熱すると爆発することがある。衝撃に弱い場合があります。
- InChI
- 1S/CH5N3.HNO3/c2*2-1(3)4/h(H5,2,3,4);(H,2,3,4)
- InChIKey
- CNUNWZZSUJPAHX-UHFFFAOYSA-N
- SMILES
- NC(N)=N.O[N+]([O-])=O
- LogP
- -1.7 at · -1.7 at 20℃
- CAS データベース
- 506 · 506-93-4(CAS DataBase Reference)
- EPAの化学物質情報
- Guanidine nitrate (506-93-4)
化学的性質
化学的特性solid
安全と法規制
GHS分類
GHS Classification
Danger
H272 (29.8%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
P210, P220, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 178 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H272: May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
危険有害性情報
Regulatory Information
Guanidine, nitrate (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Guanidine, nitrate (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 29-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16017
Guanidinium nitrate: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 143 [Oxidizers (Unstable)]:
· May explode from friction, heat or contamination.
Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion. Explosive.
Fire Potential
Explosive. Gives off irritating or toxic fumes (or gases) in a fire.
MAY IGNITE ORGANIC MATERIALS ON CONTACT...
Health Hazards
Excerpt from ERG Guide 143 [Oxidizers (Unstable)]:
· TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
May decompose explosively from shock, friction, or concussion; Heating may cause explosion; A severe skin and eye irritant; [ICSC] A strong oxidizer; Explosive; [CAMEO] A mild eye irritant and severe skin irritant in rabbits; [RTECS] Can cause fire on contact with combustible material; An irritant; [MSDSonline] See Guanidine.
Reactivity Profile
GUANIDINE NITRATE can explode. Demolished an autoclave built to withstand 50 atmospheres when it exploded as it was being synthesized from ammonium thiocyanate and lead nitrate [C. Angew Chem. 49:23(1936)]. Acts an an oxidizing agent with organic matter.
安全と保護具
Fire Fighting
Excerpt from ERG Guide 143 [Oxidizers (Unstable)]:
Use water in large amounts. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest.
First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .
Accidental Release Measures
· 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.
· Keep combustibles (wood, paper, oil, etc.) away from spilled material.
First Aid
Excerpt from ERG Guide 143 [Oxidizers (Unstable)]:
General First Aid:
Fire Fighting Procedures
If material on fire or involved in fire: Flood with water. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible.
Evacuation: If fire becomes uncontrollable - consider evacuation of one-half (1/2) mile radius.
Cleanup Methods
Evacuate danger area and consult an expert in case of large spill. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Do NOT absorb in saw-dust or other combustible absorbents. Sweep spilled substance into covered containers; if appropriate, moisten first to prevent dusting.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Spillage Disposal
Evacuate danger area! Consult an expert! Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Do NOT absorb in saw-dust or other combustible absorbents. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
毒性情報
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)
Ecotoxicity Values
LC50 Leuciscus idus (carp) 2420 mg/L/48 hr /Conditions of bioassay not specified in source examined/
LC50 Pimephales promelas (fathead minnow) 690 mg/L/96 hr; Conditions: flow-through, 20 to 22 °C
LC50 Ictalurus punctatus (channel catfish) 1850 mg/L/96 hr; Conditions: flow-through, 20 to 22 °C
EC50 Daphnia magna (water flea) 70.2 mg/L/48 hr; Conditions: 20 °C; Effect: immobilization test
For more Ecotoxicity Values (Complete) data for GUANIDINE, MONONITRATE (9 total), please visit the HSDB record page.
Exposure Routes
The substance can be absorbed into the body by ingestion.
Oral (L1137) ; inhalation (L1137)
Toxicity Summary
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
Sore throat. Cough.
Redness. Pain.
Redness. Pain.
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)
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ In rabbits administered 2,000 mg/kg bw by 24 hr semi-occlusive /dermal/ application, no substance-related deaths or clinical signs of toxicity were observed.
/LABORATORY ANIMALS: Acute Exposure/ The test material was described as slightly irritating to rabbit skin using the Draize method as prescribed in EPA Guideline (1982). Quantity applied: 2,000 mg/kg bw semiocclusively for 24 hr; after 0.5 hr erythema in 9/10 animals and edema in 2/10 animals. After 72 hr erythema in 2/10 animals without observation of edema.
/LABORATORY ANIMALS: Acute Exposure/ Described as highly irritating in the rabbit using the Draize method as described in EPA Guideline (1982). Application quantity: 500 mg; semiocclusive patch for 24 hr; after 14 days, 7/8 animals showed erythema; for edema after 24 hr 4/8 animals with an index of 1, 3/8 animals with an index of 2 and 1/8 with an index of 4; after 14 days no further edema was observed.
/LABORATORY ANIMALS: Acute Exposure/ Test material described as slightly irritating when applied to the skin /rabbit/ using OECD Guideline 404: Acute Dermal Irritation/Corrosion. Application amount: 500 mg; semiocclusive for 4 hours; slight erythema and edema in 1/3 animals after 1 hr.
For more Non-Human Toxicity Excerpts (Complete) data for GUANIDINE, MONONITRATE (8 total), please visit the HSDB record page.
Antidote and Emergency Treatment
/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/
/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- MF4350000
- ridadr
- UN 1467
- hs_code
- 29252000
- risk_code
- 8-22-36/37/38-5
- 化審法
- (1)-394, (2)-1773
- 消防法
- 危-5-GN-2-II
- hazard_code
- O,Xn,Xi
- safety_code
- 17-26-36-15
- hazard_class
- 5.1
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Ox. Sol. 3
- ストレージクラス
- 5.1B - Oxidizing hazardous materials
- 有毒物質データの
- 506-93-4(Hazardous Substances Data)
化学と産業
薬理情報
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)
用途と製造
Uses
Used to make explosives, disinfectants, and photographic chemicals; [Hawley]
In manufacture of explosives, disinfectants, photographic materials
Therapeutic Category: Cholinergic
It is a high energy fuel used in some gas generator and solid rocket propellant applications.
U.S. Production
2023: 4,956,351 lb
Guanidine, mononitrate is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5494]
Methods of Manufacturing
No practical method exists for the direct synthesis of free guanidine. All major manufacturing processes therefore involve the production of guanidine salts by reaction of the appropriate ammonium salt with compounds containing the NCN group. At present, only dicyandiamide, cyanamide, and urea are used for large-scale production of guanidine salts. /Guanidine salts/
Dicyandiamide (85 parts) and ammonium nitrate (180 parts) are mixed and dosed by a screw into a heated stirring vessel where the mixture is melted down. The melt is then run into a cascade of two further vessels where the main reaction occurs. The hot molten mass is subsequently dissolved in mother liquor to give a warm salt solution, which is pumped through a filter (to remove solid triazines) and cooled in a continuously operating crystallizer. The crystallized guanidine nitrate is centrifuged, dried, and stored. This process is conducted on a technical scale for guanidine nitrate ... .
Melting urea with ammonium nitrate in presence of a silica catalyst at 120-200 °C gives guanidine nitrate in high yield ... Reaction safety hazard problems, difficulties recycling off-gases and the ammonium nitrate excess, and problems with the re-usage of the spent catalyst have prevented to date from large scale realization of this process.
General Manufacturing Information
Miscellaneous Manufacturing
Guanidine, nitrate (1:1): ACTIVE
BY-PRODUCT SOLIDS FROM THE MANUFACTURE OF GUANIDINE NITRATE BY THE PITTSBURG COKE PROCESS, COMPRISING AMMELIDE 48, AMMELINE 24, MELAMINE 23, AND INORGANIC SALTS 5% CAN BE DISPOSED OF BY MAKING THEM AVAILABLE TO MELAMINE OR CYANURIC ACID PRODUCERS, CONVERSION TO CYANURIC ACID, OR HYDROLYSIS TO AMMONIA AND CARBON DIOXIDE.
A FUMIGANT COMPOUND THAT CAN BE USED INDOORS WHICH WILL NOT CAUSE FADING OR STAINING OF MATERIALS & WILL NOT GIVE OFF CYANIDE, CONTAINS GUANIDINE NITRATE.
GUANIDINE NITRATE HAD A SUSPENSION-STABILIZING EFFECT ON SURFACTANTS & DISPERSING AGENTS TESTED FOR METHYL PARATHION ABSORBED ON KAOLIN.
応用分野
用途アミン硝酸塩系の爆発性化合物。濃硫酸で脱水処理し、固体ロケット推進薬の配合剤であるニトログアニジン製造のための中間体。硝酸アンモニウムや他の硝酸塩との溶融混合物は爆薬代替品
使用Guanidine nitrate is the salt formed from guanidine and nitric acid and has been used as a high energy fuel used in gas generators and propellant applications.
一般的な説明Guanidine nitrate (GN) is an explosive used by the military and commercial sectors. Decomposition of guanidine nitrate has been investigated.
上流・下流製品情報
上流原料
下流製品
関連反応
関連ノート
読み込み中…