苯甲醛肟

  • 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
  • 表征图谱

苯甲醛肟 基本信息

中文名称:
苯甲醛肟 
中文别名:
苯甲醛肟;
苯亚甲基醛 肟,PREDOMINANTLY (E)-ISOMER;
逆亞苄肟 
英文名称:
Benzaldehyde, oxime
英文别名:
Benzaldoxime, predominantly (E)-isomer;
Benzaldoxime 
CAS No.:
932-90-1
分 子 式:
C7H7NO
分 子 量:
121.14
精确分子量:
121.05300
PSA:
32.59000
MDL:
MFCD00002119
EINECS:
213-261-2
BRN:
774138
InChI:
The Key: VTWKXBJHBHYJBI-SOFGYWHQSA-N
危险品标志:
风险术语:
R36/37/38   
安全术语:
S24/25
分子结构式:
SDS:
查看

苯甲醛肟 制备方法及用途

制备方法

用苯甲醛以盐酸羟胺肟化制得

用途简介

苯唑青霉素的中间体

苯甲醛肟 物化性质

外观与性状:
在熔点后,透明无色晶体
密度:
1,11 g/cm3
熔点:
30-33 °C
沸点:
118-120°C 10mm
闪点:
108°C
折射率:
1.59-1.592
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方

稳定性相关:

 常温常压下稳定,避免氧化物 酸性氯化物 酸酐接触

其它信息:

1.      性状:未确定

2.      密度(g/mL,25/4):1,11 g/cm3

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):30-33°C

5.      沸点(ºC,常压):未确定

6.      沸点(ºC 10mmHg):118-120°C

7.      折射率:1.59-1.592

8.      闪点(ºC):108°C

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,25ºC):未确定

12.   饱和蒸气压(kPa,60ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

苯甲醛肟 安全信息

海关代码:
29280090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36-S24/25
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi:Irritant;

苯甲醛肟 毒理性

生态数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境

苯甲醛肟 MSDS

Name: Benzaldehyde oxime 99+% Material Safety Data Sheet
Synonym: None
CAS: 932-90-1
Section 1 - Chemical Product   MSDS Name:Benzaldehyde oxime 99+% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
932-90-1 Benzaldehyde oxime 99.0+ 213-261-2
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed. Prolonged contact may cause severe irritation or burns.

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 immediately.
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:
Treat symptomatically and supportively.

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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Keep container closed when not in use. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 932-90-1: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: after melting, clear colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 30.00 - 33.00 deg C
Autoignition Temperature: Not available.
Flash Point: 108 deg C ( 226.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H7NO
Molecular Weight: 121.14

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, acid anhydrides, acid chlorides.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 932-90-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzaldehyde oxime - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 932-90-1: No information available.
Canada
CAS# 932-90-1 is listed on Canada's NDSL List.
CAS# 932-90-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 932-90-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

苯甲醛肟 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:36.15

2、   摩尔体积(m3/mol):118.4

3、   等张比容(90.2K):295.2

4、   表面张力(dyne/cm):38.6

5、   极化率10-24cm3):14.33


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:1

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积32.6

7.重原子数量:9

8.表面电荷:0

9.复杂度:95.1

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:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

苯甲醛肟 表征图谱

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