sodium salt of 1-cyanourea | 76989-89-4

• 物质功能分类: 无机化工 - 无机盐 - 氰化物、氰氧化物及氰络合物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: sodium salt of 1-cyanourea
• 英文别名: cyanourea sodium salt；cyano-urea; sodium-compound；Cyan-harnstoff; Natrium-Verbindung；1-cyanoisourea; sodium salt；cyanourea; monosodium salt；Sodium;carbamoyl(cyano)azanide；sodium;carbamoyl(cyano)azanide
• CAS: 76989-89-4
• 化学式: C₂H₂N₃O*Na
• 分子量: 107.047
• InChiKey: WRMMKOIISWTPEI-UHFFFAOYSA-M

物化性质

• 熔点：
  >300 °C(lit.)
• 稳定性/保质期：
  常温常压下稳定，应远离强氧化剂、强还原剂、强酸和强碱。

计算性质

• 辛醇/水分配系数(LogP)：
  -4.85
• 重原子数：
  7
• 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：
  85.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xn
• 安全说明：
  S24/25,S26,S37/39
• 危险类别码：
  R20/21/22
• WGK Germany：
  3
• 海关编码：
  2926909090
• 危险品运输编号：
  UN 2811
• 储存条件：
  存放在密封容器中，并置于阴凉、干燥的地方。

SDS

Name:	Cyanourea Sodium Salt 98% Material Safety Data Sheet
Synonym:	None Known
CAS:	76989-89-4

Section 1 - Chemical Product MSDS Name:Cyanourea Sodium Salt 98% Material Safety Data Sheet
Synonym:None Known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
76989-89-4	Cyanourea, Sodium Salt	98%	278-584-3

Hazard Symbols: XN
Risk Phrases: 20/21/22

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause cardiac disturbances. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

---

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. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray.

---

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.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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.
Exposure Limits CAS# 76989-89-4: 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 minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: light beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C2H2N3ONa
Molecular Weight: 107.05

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 76989-89-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Cyanourea, Sodium Salt - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

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.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 76989-89-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 76989-89-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 76989-89-4 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  sodium salt of 1-cyanourea 在 硫化氢 作用下， 以 水 为溶剂， 以73%的产率得到硫代缩二脲
  参考文献：
  名称：

  Piskala; Vachalkova; Masojidkova, Pharmazie, 2004, vol. 59, # 10, p. 756 - 762

  摘要：

  DOI：
• 作为产物：
  描述：

  氰化钠 、 sodium cyanamide 在 水 、 溴 作用下， 生成 sodium salt of 1-cyanourea
  参考文献：
  名称：

  Madelung; Kern, Justus Liebigs Annalen der Chemie, 1922, vol. 427, p. 29

  摘要：

  DOI：

文献信息

• Method of producing sodium dicyanamide
  申请人：Thalhammer Franz

  公开号：US06911559B1

  公开（公告）日：2005-06-28

  A process is described for preparing sodium dicyanamide, in which cyanamide is reacted simultaneously with sodium hydroxide solution and cyanogen chloride in aqueous solution at temperatures of 20 to 100° and a pH of 7.0 to 10.0. By means of the inventive process it is possible, starting from raw materials which are available in technical-grade quality, to prepare sodium dicyanamide in good yields of 75 to 95% and very high purities of up to 100% in a very environmentally friendly manner, for which reason this process is particularly highly suitable for the industrial scale.

  描述了一种制备双氰胺钠的方法，其中氰胺与氢氧化钠溶液和氰氯在水溶液中同时反应，在20至100°C的温度和7.0至10.0的pH下进行。通过这种创新的方法，可以从技术级原料出发，以非常环保的方式制备出75%至95%的双氰胺钠，并且纯度高达100%，因此这种方法特别适合工业规模使用。
• Synthesis of dihydro-1,3-thiazine derivatives. III
  作者：A. E. Kretov、A. P. Momsenko、Yu. A. Levin

  DOI：10.1007/bf00480571

  日期：1973.5
• Madelung; Kern, Justus Liebigs Annalen der Chemie, 1922, vol. 427, p. 29
  作者：Madelung、Kern

  DOI：——

  日期：——
• Piskala; Vachalkova; Masojidkova, Pharmazie, 2004, vol. 59, # 10, p. 756 - 762
  作者：Piskala、Vachalkova、Masojidkova、Horvathova、Ovesna、Paces、Novotny, Ladislav

  DOI：——

  日期：——

表征谱图