氰基乙酸钠

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

氰基乙酸钠 基本信息

中文名称:
氰基乙酸钠 
中文别名:
氰基乙酸钠;
Sodium Cyanoacetate 50wt%Aqueoussolution Natriumcyanacetat Sodium Cyanoacetate, 50 Wt% Aqueous Solution 
英文名称:
Acetic acid, 2-cyano-,sodium salt (1:1)
英文别名:
sodium,2-cyanoacetate;
EINECS 213-991-1;
Sodium cyanoacetate;
sodium 2-cyanoacetate;
cyanoacetate sodium;
cyanoacetic acid sodium salt;
sNxhGLMAI[ZZp@;
Natrium-cyanacetat 
CAS No.:
1071-36-9
分 子 式:

C3H3NO2.Na

分 子 量:
108.05
精确分子量:
106.99800
PSA:
63.92000
EINECS:
213-991-1
InChI:
The Key: JAUCIKCNYHCSIR-UHFFFAOYSA-M
危险品标志:

 

风险术语:

 

安全术语:

S24/25

分子结构式:
SDS:
查看

氰基乙酸钠 制备方法及用途

制备方法

用于人工合成咖啡因。

用途简介

用途

用于人工合成咖啡因。

氰基乙酸钠 物化性质

密度:
1.32
沸点:
100 °C
闪点:
107.8ºC
蒸汽压:
7.55E-05mmHg at 25°C
存储条件/存储方法:

储存于阴凉、通风的库房。远离火种、热源。应与氧化剂、还原剂、酸类、碱类分开存放,切忌混储。配备相应品种和数量的消防器材。储区应备有泄漏应急处理设备和合适的收容材料。

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

氰基乙酸钠 安全信息

包装等级:
II
风险类别:
3.1
海关代码:
29309070
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R11:Highly Flammable. R36/37/38:Irritating to eyes, respiratory system and skin .
安全说明:
24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
F,Xi

氰基乙酸钠 毒理性

毒理学数据:

1、急性毒性:小鼠经腹腔LD505700mg/kg

生态数据:

对环境有危害,对水体有污染,禁止进入水体。

氰基乙酸钠 MSDS

Name: Sodium Cyanoacetate 50 wt% Aqueous Solution Material Safety Data Sheet
Synonym: None Known
CAS: 1071-36-9
Section 1 - Chemical Product   MSDS Name:Sodium Cyanoacetate 50 wt% Aqueous Solution Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1071-36-9 Sodium Cyanoacetate 50% 213-991-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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# 1071-36-9: CAS# 7732-18-5: 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 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: Liquid
Color: clear amber
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 100 deg C @ 760.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: miscible
Specific Gravity/Density: 1.3200g/cm3
Molecular Formula: C3H2NaNO2
Molecular Weight: 107.04

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, acetonitrile.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1071-36-9 unlisted.
CAS# 7732-18-5: ZC0110000 LD50/LC50:
Not available.
CAS# 7732-18-5: Oral, rat: LD50 = >90 mL/kg.
Carcinogenicity:
Sodium Cyanoacetate - Not listed by ACGIH, IARC, or NTP.
Water - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
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# 1071-36-9: No information available.
CAS# 7732-18-5: No information available.
Canada
CAS# 7732-18-5 is listed on Canada's DSL List.
CAS# 1071-36-9 is not listed on Canada's Ingredient Disclosure List.
CAS# 7732-18-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1071-36-9 is not listed on the TSCA inventory.
It is for research and development use only.
CAS# 7732-18-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

氰基乙酸钠 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:106.998323 Da

8、标称质量:107 Da

9、平均质量:107.0432 Da

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积63.9

7.重原子数量:7

8.表面电荷:0

9.复杂度:103

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

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