糠醛肟

糠醛肟 基本信息
CAS号 1121-47-7 分子式 C5H5NO2
分子量 111.09900 精确质量  111.03200
PSA  45.73000 LogP  1.08770

基本信息 展开↓

CAS号:
1121-47-7
3D弹球模型:
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分子式:
C5H5NO2
分子量:
111.09900
中文名称:
糠醛肟
英文名称:
2-FURALDEHYDE OXIME
中文别名:
糠醛肟;
Β-呋喃酰一肟
英文别名:
2-FURALDEHYDE OXIME;
N-Hydroxy-2-furanylmethanimine;
2-furaldoxime;
2-Furancarbaldehyde oxime;
2-furancarboxaldehyde,oxime;
FURFURALOXIME;
furfuraldehyde oxime
精确分子量/精确质量:
111.03200
极性分子表面积/PSA:
45.73000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00014114
InChI:
InChI=1/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+

生产制备方法及用途展开↓

制备方法


合成呋喃类药物

用途简介


用途


合成呋喃类药物

物化性质展开↓

密度:
1.19g/cm3
熔点:
78ºC
沸点:
169.9ºC at 760 mmHg
闪点:
56.5ºC
折射率:
1.523
蒸汽压:
1.02mmHg at 25°C
其它信息:

1.熔点(ºC):78

安全信息展开↓

海关代码:
2932190090
危险类别码:
R20/21/22
危险标志:
Xi

合成路线查看所有的合成路线

  • 98-01-1

    糠醛

  • ~99%

  • 1121-47-7

    糠醛肟

  • 98-00-0

    糠醇

  • +

  • 5470-11-1

    盐酸羟胺

  • ~95%

  • 1121-47-7

    糠醛肟

  • 499979-38-3

    2-Furanmethanol, a-(hydroxyamino)-

  • 1121-47-7

    糠醛肟

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LT7900000
CHEMICAL NAME :
2-Furaldehyde, oxime
CAS REGISTRY NUMBER :
1121-47-7
BEILSTEIN REFERENCE NO. :
0108675
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C5-H5-N-O2
MOLECULAR WEIGHT :
111.11
WISWESSER LINE NOTATION :
T5OJ B1UNQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - coma
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,522,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03758

MSDS 展开↓

Name: 2-Furaldehyde oxime 97% Material Safety Data Sheet
Synonym:
CAS: 1121-47-7
Section 1 - Chemical Product   MSDS Name:2-Furaldehyde oxime 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1121-47-7 2-Furaldehyde oxime 97% unlisted
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. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1121-47-7: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 78 - 80 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H5NO2
Molecular Weight: 111.1

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1121-47-7: LT7900000 LD50/LC50:
Not available.
Carcinogenicity:
2-Furaldehyde oxime - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 1121-47-7: No information available.
Canada
CAS# 1121-47-7 is listed on Canada's NDSL List.
CAS# 1121-47-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1121-47-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2932190090

概述:
2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:28.32

2、  摩尔体积(cm3/mol):92.6

3、  等张比容(90.2K):237.1

4、  表面张力(dyne/cm):42.9

5、  极化率(10-24cm3):11.23

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