草酸氢铵(一水) | 1113-38-8

• 物质功能分类: 化学试剂 - 有机试剂 - 胺盐（铵盐）
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 草酸氢铵(一水)
• 中文别名: 一水合草酸氢铵乙二酸氢铵
• 英文名称: ammonium hydrogen oxalate
• 英文别名: ammonium oxalate；diammonium oxalate；Azanium;hydron;oxalate
• CAS: 1113-38-8；5972-72-5
• 化学式: C₂H₂O₄*H₃N
• 分子量: 107.066
• InChiKey: AJGPQPPJQDDCDA-UHFFFAOYSA-N

物化性质

• 熔点：
  222-224°C
• 沸点：
  230.85°C (rough estimate)
• 密度：
  1.5000
• 溶解度：
  水（轻微，超声处理）
• 稳定性/保质期：

  有毒！

  可溶于水，难溶于乙醇。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.68
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.6
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S24/25
• 危险类别码：
  R21/22
• WGK Germany：
  1
• 海关编码：
  2917119000
• 危险品运输编号：
  UN 1759 8/PG 3
• RTECS号：
  RO2750000
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Name:	Ammonium oxalate monohydrate p.a. Material Safety Data Sheet
Synonym:	Diammonium oxalate, monohydrate; Ethanedioic acid, diammonium salt monohydrate; Oxalic acid, diammonium salt monohydrate
CAS:	1113-38-8

Section 1 - Chemical Product MSDS Name:Ammonium oxalate monohydrate p.a. Material Safety Data Sheet
Synonym:Diammonium oxalate, monohydrate; Ethanedioic acid, diammonium salt monohydrate; Oxalic acid, diammonium salt monohydrate

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1113-38-8	Ammonium oxalate anhydrous	-	214-202-3

Hazard Symbols: XN
Risk Phrases: 21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation. May result in corneal injury.
Skin:
Harmful if absorbed through the skin. Oxalate is an irritant and may cause dermatitis. Skin lesions begin with epithelial cracking and the formation of slow-healing ulcers. The fingers may appear cyanotic.
Ingestion:
Ulcerations of the mouth, vomiting of blood, and rapid appearance of shock, convulsions, twitching, tetany, and cardiovascular collapse may occur following ingestion of oxalic acid or its soluble salts.
Systemic effects may be due to formation of calcium oxalate which is insoluble at physiological pH and can be deposited in the brain and kidney tubules. Resultant hypocalcemia might disturb the function of the heart and nerves. Mean lethal dose for oxalates in adults is estimated at 10 - 30 grams (143 - 428 mg/kg).
Inhalation:
Inhalation of oxalic acid produces irritation of the respiratory tract, ulceration of the mucous membranes, headaches, nervousness, cough, vomiting, emaciation, back pain (due to kidney injury), and weakness.
Chronic:
Inhalation of oxalic acid dust or mist over a long period of time might result in weight loss and respiratory tract inflammation. Rats administered oxalic acid at 2.5 and 5% in the diet for 70 days developed depressed thyroid function and weight loss. A study of railroad car cleaners in Norway who were heavily exposed to oxalic acid solutions and vapors revealed a 53% prevalence of urolithiasis (the formation of urinary stones), compared to a rate of 12% among unexposed workers from the same company.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
Antidote: Intravenous administration of calcium gluconate or calcium chloride may be required if hypocalcemia or hypocalcemic tetany occur.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed.
Do not ingest or inhale. Discard contaminated shoes. Use only with adequate ventilation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Oxalates slowly corrode steel.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Appearance: white
Odor: odorless
pH: 6.4 @ 0.1M
Vapor Pressure: Not applicable.
Viscosity: Not available.
Boiling Point: Decomposes.
Freezing/Melting Point: 70 deg C (dec)
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 70 deg C
Solubility in water: Soluble.
Specific Gravity/Density: 1.5
Molecular Formula: C2H8N2O4.H2O
Molecular Weight: 142.11

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, excess heat, Oxalates slowly corrode steel..
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, formic acid, ammonia.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1113-38-8: RO2750000 CAS# 6009-70-7 unlisted.
LD50/LC50:
Not available.
Not available.
Carcinogenicity:
Ammonium oxalate anhydrous - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
Ammonium oxalate, monohydrate - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Dangerous Goods Code: 6.1(25C)
UN Number: 2811

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 21/22 Harmful in contact with skin and if
swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 1113-38-8: No information available.
CAS# 6009-70-7: 1
United Kingdom Occupational Exposure Limits
Canada
CAS# 1113-38-8 is listed on Canada's DSL List.
CAS# 1113-38-8 is not listed on Canada's Ingredient Disclosure List.
CAS# 6009-70-7 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 1113-38-8 is listed on the TSCA inventory.
CAS# 6009-70-7 is not on the TSCA Inventory. It is a hydrate and
exempt from TSCA Inventory requirements (40CFR720.3(u)(2)).

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

理化性质

草酸铵，化学式为 $(\text{NH}_4)_2\text{C}_2\text{O}_4·\text{H}_2\text{O}$。其分子量为 142.11。无色柱状或白色粒状结晶，有毒。没有确切的熔、沸点，相对密度约为 1.50，折光率 1.546。易溶于水，微溶于乙醇，不溶于氨水中。加热至 95℃时脱水，高温分解出一氧化碳、二氧化碳及氨气。能与其它金属盐反应生成溶解度较低的草酸盐。例如，在其水溶液中加入可溶性钙盐会形成白色沉淀，也可作为配体与过渡金属盐形成草酸类配合物。

制备方法

由草酸与氨水（或碳酸铵）作用经结晶而得。

用途

草酸铵可用于制备含铁去锡染料、有机合成原料，并可作测定钙、铅及稀土金属离子的试剂和金属抛光剂。

水中溶解度(g/100ml)

不同温度下每 100 毫升水中的溶解克数如下：

• 2.2g/0℃
• 3.21g/10℃
• 4.45g/20℃
• 6.09g/30℃
• 8.18g/40℃
• 14g/60℃
• 22.4g/80℃
• 27.9g/90℃
• 34.7g/100℃

化学性质

无色柱状结晶。相对密度约为 1.501，折光率约为 1.439。能溶于约 20 份冷水和 2.6 份沸水中，微溶于乙醇，不溶于氨中。无气味，在加热时会分解。

用途

用于分析试剂和有机合成中间体。也可用于制备安全炸药及作为分析试剂等用途。在实验室条件下，草酸铵可与溶液中的钙、镁离子生成沉淀，通过过滤除去溶液中的钙、镁离子。

生产方法

将草酸溶解于水中，加入氨水中并不断搅拌，将溶液迅速冷却至 25℃，过滤结晶，在室温下干燥获得草酸铵。

类别

有毒物品

毒性分级

高毒

急性毒性

参考值：腹腔-小鼠 LD₅₀: 155 毫克/公斤

可燃性危险特性

可燃；燃烧时产生有毒氮氧化物和氨烟雾。

储运特性

库房应通风、低温干燥。

灭火剂

干粉、泡沫、砂土、二氧化碳，或用雾状水灭火。

反应信息

• 作为反应物：
  描述：

  草酸氢铵(一水) 生成 氰
  参考文献：
  名称：

  Dumas, Annales de Chimie (Cachan, France), 1830, vol. <2> 44, p. 133

  摘要：

  DOI：
• 作为产物：
  描述：

  草酸 在 磷酸二氢铵 作用下， 以 水 为溶剂， 反应 504.0h， 生成 草酸氢铵(一水)
  参考文献：
  名称：

  半有机草酸氢铵二水合草酸单晶的合成及其表征

  摘要：

  提出了一种用于合成草酸氢铵二水合草酸(NH 4 H 3 (C 4 O 8 )·2H 2 O) 单晶的不同方法。使用溶剂蒸发技术合成晶体。合成的NH 4 H 3 (C 4 O 8 )·2H 2 O单晶通过单晶X射线衍射(SCXRD)、粉末XRD、UV-Vis和光致发光光谱等测量进行了分析，傅里叶变换红外光谱、热重和差热分析 (TG-DTA)、维氏显微硬度测量和电流与电压 (I-V) 特性。SCXRD对晶体分子结构的评价表明，它们属于具有P-1空间群的三斜晶系​​。晶体的结构特性也使用粉末 XRD 测量对其细碎粉末进行评估。这些测量证实了 SCXRD 的结果并证实了晶体的三斜晶系​​。这些晶体的吸光度和发射等光学性质分别使用紫外-可见光和光致发光光谱测定。这些测量表明，晶体在蓝色区域表现出大量发射。使用 TG-DTA 分析研究晶体的热稳定性和分解机理。使用维氏显微硬度技术测定晶体的机械强度。从光依赖的I-V特性分析NH

  DOI：

  10.1007/s10973-020-09965-5
• 作为试剂：
  描述：

  环辛烷 、 苯乙酮 在 bis(hexafluoroacetylacetonazo)nickel(II) 、 草酸氢铵(一水) 、 bis(trifluoromethane)sulfonimide lithium 作用下， 以 环己烷 为溶剂， 以36%的产率得到4-cyclooctylacetophenone
  参考文献：
  名称：

  一种4-环烷基苯乙酮衍生物的制备方法

  摘要：

  本发明公开了一种4‑环烷基苯乙酮衍生物的制备方法，属于有机化合物技术领域。本发明使用2‑取代苯乙酮衍生物或3‑取代苯乙酮衍生物为起始物，原料易得、种类很多；利用本发明的方法可以一步得到对位环烷基取代的苯乙酮衍生物，产物类型多样，既可以直接使用、又可以用于其他进一步的反应。本发明反应操作和后处理过程简单，产率较高，没有生成大量的金属盐，是绿色、原子经济性高的方法，适合于规模生产。

  公开号：

  CN109020790B

文献信息

• Boosting electrochemical water oxidation through replacement of O_h Co sites in cobalt oxide spinel with manganese
  作者：Prashanth W. Menezes、Arindam Indra、Vitaly Gutkin、Matthias Driess

  DOI：10.1039/c7cc03749j

  日期：——

  The strikingly high catalytic performance and stability of manganese substituted cobalt oxide spinel (MnxCo3-xO4) over pristine cobalt oxide spinel (Co3O4) for the alkaline electrochemical water oxidation is reported. The different role of cations could be uncovered along with the detection of drastic surface-structural changes during the catalysis using spectroscopic and microscopic methods.

  据报道，锰取代的氧化钴尖晶石（Mn x Co3-xO 4）相对于原始的氧化钴尖晶石（Co 3 O 4）具有极高的催化性能和稳定性，可用于碱性电化学水氧化。阳离子的不同作用以及使用光谱和显微镜方法检测催化过程中剧烈的表面结构变化均可发现。
• The synthesis of quaternary ammonium salts from ammonium salts and dialkyl carbonate
  作者：Zhuoqun Zheng、Tinghua Wu、Xiaoping Zhou

  DOI：10.1039/b601343k

  日期：——

  Quaternary ammonium salts were synthesized from ammonium salts and dialkyl carbonates over an ionic liquid catalyst 1-ethyl-3-methylimidazolium bromide.

  在离子液体催化剂溴化1-乙基-3-甲基咪唑鎓上由铵盐和碳酸二烷基酯合成季铵盐。
• CONVERSION OF 2,3-BUTANEDIOL TO BUTADIENE
  申请人：Battelle Memorial Institute

  公开号：US20150218062A1

  公开（公告）日：2015-08-06

  A composition comprising 2,3-butanediol is dehydrated to methyl vinyl carbinol and/or 1,3-butadiene by exposure to a catalyst comprising (a) M x O y wherein M is a rare earth metal, a group IIIA metal, Zr, or a combination thereof, and x and y are based upon an oxidation state of M, or (b) M 3 a (PO 4 ) b where M 3 is a group IA, a group IIA metal, a group IIIA metal, or a combination thereof, and a and b are based upon the oxidation state of M 3 . Embodiments of the catalyst comprising M x O y may further include M 2 , wherein M 2 is a rare earth metal, a group IIA metal, Zr, Al, or a combination thereof. In some embodiments, 2,3-butanediol is dehydrated to methyl vinyl carbinol and/or 1,3-butadiene by a catalyst comprising M x O y , and the methyl vinyl carbinol is subsequently dehydrated to 1,3-butadiene by exposure to a solid acid catalyst.

  一种包括2,3-丁二醇的组合物通过暴露于催化剂而被脱水成为甲基乙烯醇和/或1,3-丁二烯，所述催化剂包括(a) MxOy，其中M是稀土金属、III A族金属、锆或二者的组合物，x和y基于M的氧化态，或(b) M3a(PO4)b，其中M3是IA族金属、IIA族金属、III A族金属或二者的组合物，a和b基于M3的氧化态。包括MxOy的催化剂的实施例可能进一步包括M2，其中M2是稀土金属、IIA族金属、锆、铝或二者的组合物。在一些实施例中，2,3-丁二醇通过包括MxOy的催化剂被脱水成为甲基乙烯醇和/或1,3-丁二烯，然后通过暴露于固体酸催化剂将甲基乙烯醇进一步脱水成为1,3-丁二烯。
• Alkylation of Ammonium Salts Catalyzed by Imidazolium-Based Ionic Liquid Catalysts
  作者：Zhuo Qun Zheng、Jie Wang、Ting Hua Wu、Xiao Ping Zhou

  DOI：10.1002/adsc.200600451

  日期：2007.5.7

  Quaternary ammonium salts were synthesized from ammonium salts and dialkyl carbonates over imidazolium ionic liquid catalysts. The reaction gave almost stoichiometric amounts of the quaternary ammonium salts for halides and nitrates. It was found that the electron-donating property of the alkyl moieties of ammonium cations, the electrophilic nature of the alkyl group of the carbonate, the acidity of

  在咪唑鎓离子液体催化剂上由铵盐和碳酸二烷基酯合成季铵盐。该反应产生了几乎化学计量的用于卤化物和硝酸盐的季铵盐。发现铵阳离子的烷基部分的供电子性，碳酸盐烷基的亲电子性质，铵盐的阴离子所对应的酸的酸度以及铵的空间位阻。盐和碳酸二烷基酯是影响季铵盐收率的关键因素。铵盐氮原子上的强供电子烷基，碳酸二烷基酯的亚甲基碳上的吸电子基团，
• 1,2,4-Triazole Schiff base directed synthesis of polynuclear iron complexes: Investigating the magnetic properties going from a dimer to a 1D chain to a 3D framework
  作者：Ai-Min Li、Eva Rentschler

  DOI：10.1016/j.poly.2018.08.003

  日期：2018.11

  chain structure and 2 exhibiting a zigzag chain based 3D interpenetrating framework. Both structures show rather big voids in the 3D architecture (∼15% of the crystal volume). Compound (5-imztrzH)2[FeIII2(cit4−)2(H2O)2]·6H2O (3) is a binuclear FeIII complex bridging by two citrate ligands to form a face-shared centrosymmetric structure. Magnetic susceptibility measurements indicate that all three compounds

  摘要基于两个功能化的席夫碱配体4-（1H-咪唑-5-基亚甲基-氨基）-4H-1,2,4-三唑（imztrz）和4-（对甲苯基-氨基）-4H-1,2制备了一系列的三种基于三唑的多核铁配合物-4-三唑（toltrz）。化合物[FeII（toltrz）2（C2O4）]·10H2O} n（1）和[FeII（5-imztrz）（ ）]·2H2O} n（2）是草酸盐桥连的FeII配合物，其中1显示线性1D链结构和2展示了基于锯齿形链的3D互穿框架。两种结构在3D结构中都显示出相当大的空隙（约为晶体体积的15％）。化合物（5-imztrzH）2 [FeIII 2（cit 4-）2（H 2 O）2]·6H 2 O（3）是通过两个柠檬酸盐配体桥接形成面共享的中心对称结构的双核FeIII络合物。