尿素 | 506-89-8

• 物质功能分类: 化学试剂 - 有机试剂 - 脲
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 尿素
• 中文别名: 盐酸脲；尿素盐酸盐；尿素单盐酸盐
• 英文名称: urea hydrochloride
• 英文别名: amino ketone hydrochloride；Uronium chloride；carbamoylazanium;chloride
• CAS: 506-89-8
• 化学式: CH₅N₂O*Cl
• 分子量: 96.5165
• InChiKey: VYWQTJWGWLKBQA-UHFFFAOYSA-N

物化性质

• 熔点：
  132-135 °C(lit.)
• 密度：
  1.335 g/mL at 25 °C(lit.)
• 溶解度：
  H2O: 8 M at 20 °C
• 物理描述：
  DryPowder; Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  -0.55
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.1
• 氢给体数：
  3
• 氢受体数：
  1

ADMET

毒理性

• 副作用

有害性肺炎 - 由于吸入金属烟雾或有毒气体和蒸气引起的肺部炎症。

Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R36/37/38
• WGK Germany：
  1
• RTECS号：
  YR6250000
• 海关编码：
  3102100001
• 安全说明：
  S26,S36
• 储存条件：
  2-8℃

SDS

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Section 1. Chemical Product and Company Identification
Urea Hydrochloride
Common Name/
Trade Name
Manufacturer
Commercial Name(s)
Synonym
Chemical Name
Chemical Family
Urea Hydrochloride

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Section 4. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at
least 15 minutes. Cold water may be used. Get medical attention.
Skin Contact In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove
contaminated clothing and shoes. Cold water may be used.Wash clothing before reuse. Thoroughly clean shoes
before reuse. Get medical attention.
Serious Skin Contact Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical
attention.
Inhalation If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
medical attention.
Serious Inhalation Not available.
Ingestion Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
clothing such as a collar, tie, belt or waistband.
Serious Ingestion Not available.

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash Points Not available.
Flammable Limits Not available.
Products of Combustion These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
Various Substances Non-flammable in presence of shocks.
Explosion Hazards in Presence Slightly explosive in presence of open flames and sparks.
of Various Substances Non-explosive in presence of shocks.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
and Instructions LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks on When heated to decomposition it emits toxic and irritating fumes of Hydrogen chloride, carbon monoxide, carbon
Fire Hazards dioxide, nitrogen oxides, and ammonia.
As with most organic solids, fire is possible at elevated temperatures.
Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presences of an ignition source is a potential dust
Hazards explosion hazard.

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Section 6. Accidental Release Measures
Small Spill Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large Spill Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
on the contaminated surface and allow to evacuate through the sanitary system.
Urea Hydrochloride

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Section 7. Handling and Storage
Precautions Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the
residue under a fume hood. Ground all equipment containing material. Do not breathe dust. Wear suitable
protective clothing. In case of insufficient ventilation, wear suitable respiratory equipment. If you feel unwell, seek
medical attention and show the label when possible. Avoid contact with skin and eyes. Keep away from
incompatibles such as oxidizing agents, alkalis.
Storage Keep container tightly closed. Keep container in a cool, well-ventilated area.

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Section 8. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent.
Gloves.
Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
a Large Spill to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist
BEFORE handling this product.
Exposure Limits Not available.

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Section 9. Physical and Chemical Properties
Physical state and appearance Solid. (Powdered solid.) Odor Odorless.
Not available.
Taste
Molecular Weight 96.52 g/mole
Yellowish. White.
Color
Not available.
pH (1% soln/water)
Boiling Point Not available.
Decomposition temperature: >185°C (365°F)
Melting Point
Critical Temperature Not available.
Specific Gravity Not available.
Vapor Pressure Not applicable.
Vapor Density Not available.
Not available.
Volatility
Odor Threshold Not available.
Water/Oil Dist. Coeff. Not available.
Ionicity (in Water) Not available.
Dispersion Properties See solubility in water.
Solubility Easily soluble in cold water, hot water.

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Section 10. Stability and Reactivity Data
Stability The product is stable.
Instability Temperature Not available.
Conditions of Instability Excess heat, dust generation, incompatible materials, moisture
Incompatibility with various Reactive with oxidizing agents, alkalis.
substances
Urea Hydrochloride
Corrosivity Not available.
Special Remarks on Incompatible with strong alkali, hypochlorites (chlorine bleach), oxidizers.
Reactivity Heating above 230 F/110 C results in exothermic decomoposition with rapid release of carbon dioxide gas.
Hygroscopic; keep container tightly closed.
Not available.
Special Remarks on
Corrosivity
Polymerization Will not occur.

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Section 11. Toxicological Information
Routes of Entry Inhalation. Ingestion.
Toxicity to Animals LD50: Not available.
LC50: Not available.
Chronic Effects on Humans Not available.
Other Toxic Effects on
Hazardous in case of skin contact (irritant), of ingestion, of inhalation (lung irritant).
Humans
Special Remarks on Not available.
Toxicity to Animals
Special Remarks on
May cause adverse reproductive effects based on animal test data
Chronic Effects on Humans
Special Remarks on other Acute Potential Health Effects:
Toxic Effects on Humans Skin: Causes skin irritation.
Eyes: Causes eye irritation and severe damage.
Inhalation: Causes severe irritation to the respiratory tract with sore throat, coughing, shortness of beath, and
delayed lung edema.
Ingestion: May be harmful if swallowed. Causes gastrointestinal tract irritation with nausea, vomiting and
diarrhea.

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Section 12. Ecological Information
Not available.
Ecotoxicity
BOD5 and COD Not available.
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
Toxicity of the Products The product itself and its products of degradation are not toxic.
of Biodegradation
Special Remarks on the Not available.
Products of Biodegradation

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Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental
control regulations.
Urea Hydrochloride

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Section 14. Transport Information
DOT Classification Not a DOT controlled material (United States).
Identification Not applicable.
Not applicable.
Special Provisions for
Transport
DOT (Pictograms)

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Section 15. Other Regulatory Information and Pictograms
TSCA 8(b) inventory: Urea Hydrochloride
Federal and State
Regulations
California
Proposition 65
Warnings
Other Regulations EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC) R36/37/38- Irritating to eyes, S2- Keep out of the reach of children.
respiratory system and skin. S46- If swallowed, seek medical advice
immediately and show this container or label.
Health Hazard
HMIS (U.S.A.) 2 National Fire Protection
0 Flammability
1 Association (U.S.A.)
Fire Hazard
3 1 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Urea Hydrochloride
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  尿素 在 盐酸 、 双氧水 、 sodium bromide 作用下， 以 水 为溶剂， 反应 1.5h， 以98.7%的产率得到脲鎓溴化物
  参考文献：
  名称：

  偶氮二甲酰胺的新型制造方法

  摘要：

  提供偶氮二甲酰胺的经济、安全且环境负荷减小的制造方法。在水或有机溶剂或离子液体、以及有机溶剂和/或离子液体与水的均匀体系或不均匀的混合体系中，通过对尿素使用过氧化氢而使活性氯、活性氯离子以及活性溴或活性溴离子等活性溴化合物以及/或者源自过氧化氧的活性体进行反应，或者如果希望则对中间体进行电解氧化，从而得到目标物质，循环使用反应后的副产物，制造偶氮二甲酰胺。

  公开号：

  CN106795105B
• 作为产物：
  描述：

  尿素 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 尿素
  参考文献：
  名称：

  Deep eutectic solvents as attractive media for CO₂ capture

  摘要：

  报道了一种具有高重量比容量的深共熔溶剂家族，用于CO₂捕集。

  DOI：

  10.1039/c5gc02319j

文献信息

• Process for preparing carbamazepine from iminostilbene
  申请人：Max India Limited

  公开号：US06245908B1

  公开（公告）日：2001-06-12

  A process for preparing carbamazepine from iminostilbene is disclosed. The iminostilbene is reacted with urea in a protonating medium. This process results in improvements over prior art processes involving iminostilbene. Carbamazepine is a known muscle relaxant, anticonvulsant and antidepressant drug.

  揭示了一种从亚胺亚苄制备卡马西平的方法。将亚胺亚苄与尿素在质子化介质中反应。这个方法相对于涉及亚胺亚苄的先前工艺有所改进。卡马西平是一种已知的肌肉松弛剂、抗癫痫药和抗抑郁药。
• Synthesis of New Pyrimidinone Derivatives and Their Respective Biological Activity Assessment
  作者：Asma M. Elsharif

  DOI：10.13005/ojc/350221

  日期：2019.4.28

  Barbituric acid is converted into a pyrimidinone-incorporated pyrazolyl moiety (1), which is a key starting material. 1 can be converted into pyrimidine dione, isoxazole, pyrimidopyrimidine, and pyranopyrimidine by reacting with hydrazine hydrate and/or phenyl hydrazine, hydroxyl amine, urea, thiourea, guanidine, ethyl acetoacetate and ethyl cyanoacetate. Acylation of 1 gave an important key intermediate

  巴比妥酸被转化为掺入嘧啶酮的吡唑基部分（1），这是关键的起始原料。通过与水合肼和/或苯基肼，羟胺，尿素，硫脲，胍，乙酰乙酸乙酯和氰基乙酸乙酯反应，可以将1转化为嘧啶二酮，异恶唑，嘧啶嘧啶和吡喃嘧啶。酰化1得到一个重要的关键中间体（7），该中间体缩合形成查尔酮，然后对其进行环加成反应成环己烯（8-13）。筛选了一些新合成的化合物作为抗糖尿病药，并显示出显着的活性。这些新鲜制备的化合物使用不同的方法进行了表征。这些化合物显示出显着的抗糖尿病药活性，尤其是化合物4b，IC50 = 13.54μg/ ml，这非常接近标准阿卡波糖（IC50 = 12.87μg/ ml）。此外，这些化合物对结肠癌（HCT116），肝细胞癌（HEPG2）和乳腺癌（MCF7）细胞显示出细胞毒抑制活性；化合物11、4b和10表现出最佳活性，IC50分别为19.3、2.6和5μg/ ml。
• Development of energetic pharmacophore for the designing of 1,2,3,4-tetrahydropyrimidine derivatives as selective cyclooxygenase-2 inhibitors
  作者：Deepak Lokwani、Reecha Shah、Santosh Mokale、Padma Shastry、Devanand Shinde

  DOI：10.1007/s10822-011-9540-z

  日期：2012.3

  We present here the Energetic pharmacophore model representing complementary features of the 1,2,3,4-tetrahydropyrimidine for selective cyclooxygenase-2 (COX-2) inhibition. For the development of pharmacophore hypothesis, a total of 43 previously reported compounds were docked on active site of COX-2 enzyme. The generated pharmacophore features were ranked using energetic terms of Glide XP docking

  我们在此介绍了代表 1,2,3,4-四氢嘧啶选择性环加氧酶-2 (COX-2) 抑制的互补特征的能量药效团模型。为了发展药效团假说，总共有 43 种先前报道的化合物停靠在 COX-2 酶的活性位点上。生成的药效团特征使用 Glide XP 对接的能量术语对 1,2,3,4-四氢嘧啶支架进行排序，以优化其对 COX-2 抑制的结构要求。合成了 30 种新的 4,5,6-triphenyl-1,2,3,4-tetrahydropyrimidine 衍生物并评估了其选择性 COX-2 抑制活性。发现两种化合物 4B1 和 4B11 是有效的选择性 COX-2 抑制剂。
• VIRUCIDAL COMPOSITIONS AND METHODS
  申请人：InExtreme Enterprises Pty Ltd

  公开号：US20210378244A1

  公开（公告）日：2021-12-09

  A biocidal/antiviral composition comprises a quaternary ammonium compound (QAC) in combination with a reagent that increases the cationic charge on the QAC to thereby increase the biocidal/antiviral effect of the QAC. In preferred aspects, the reagent is urea hydrochloride and the QAC is dialkyl dimethyl ammonium chloride.

  一种生物杀灭/抗病毒组合物包括一种季铵化合物（QAC）和一种试剂，该试剂增加了QAC的阳离子电荷，从而增加了QAC的生物杀灭/抗病毒效果。在优选方面，试剂是尿素盐酸盐，而QAC是二烷基二甲基铵盐。
• COMPOSITIONS FOR TREATING TEXTILES AND CARPET AND APPLICATIONS THEREOF
  申请人：Grigat Michael

  公开号：US20100151184A1

  公开（公告）日：2010-06-17

  The present invention provides compositions for treating textiles, including carpet and other floor coverings. Compositions of the present invention, in some embodiments, can impart flame resistant and/or stain resistant properties to fibers, including synthetic fibers comprising polyolefins, polyamides, and polyesters such as polytrimethylene terephthalate.

  本发明提供了用于处理纺织品的组合物，包括地毯和其他地面覆盖物。本发明的组合物，在某些实施例中，可以赋予纤维阻燃和/或抗污染性能，包括合成纤维，如聚烯烃，聚酰胺和聚酯，例如聚三亚甲基对苯二甲酸酯。

表征谱图