24386-17-2 (5-氨基-2,2:3,2-呋喃-4-甲腈,5'-Amino-2,2':3',2''-terfuran-4'-carbonitrile)

CAS号:
24386-17-2
中文名称:
5-氨基-2,2:3,2-呋喃-4-甲腈
英文名称:
5'-Amino-2,2':3',2''-terfuran-4'-carbonitrile
分子式:
C13H8N2O3
分子量:
240.21422290802

5-氨基-2,2:3,2-呋喃-4-甲腈(24386-17-2)名称与标识符

名称

中文别名:
2-氨基-3-氰基-4,5-二(呋喃基) 呋喃;5''-氨基-2,2'':3'',2''''-呋喃-4''-甲腈;5'-氨基-2,2':3',2''-呋喃-4'-甲腈;5-氨基-2,2:3,2-呋喃-4-甲腈;
英文别名:
5'-Amino-[2,2':3',2''-terfuran]-4'-carbonitrile;[2,2':3',2''-Terfuran]-4'-carbonitrile,5'-amino-;2-AMINO-3-CYANO-4,5-DI(FUR-2-YL)FURAN;2-AMINO-3-CYANO-4,5-DI(FURYL) FURAN;2-amino-4,5-bis(furan-2-yl)furan-3-carbonitrile;2-Amino-3-cyano-4,5-bis(2-furyl)furan;2-amino-3-cyano-4,5-di(furyl)furane;2-amino-4,5-bis(2-furyl)furan-3-carbonitrile;2-amino-4,5-di-(2-furanyl)-furan-3-carbonitrile;2-amino-4,5-di(2-furyl)furan-3-carbonitrile;5'-amino-[2,2',3',2'']terfuran-4'-carbonitrile;aminocyanodifurylfuran;CHEMBL1399362;SCHEMBL22722936;SMR000061717;FT-0611054;EN300-02799;2-azanyl-4,5-bis(furan-2-yl)furan-3-carbonitrile;2-amino-4,5-bis(2-furanyl)-3-furancarbonitrile;5'-amino-2'-(furan-2-yl)-[2,3'-bifuran]-4'-carbonitrile;SB61081;HMS1376C10;24386-17-2;BRD-K86778967-001-08-7;MFCD00099027;AKOS000116062;DTXSID70351930;J-516632;Z56853760;2-amino-4, 5-bis(furan-2-yl)furan-3-carbonitrile;MLS000057772;ChemDiv2_002518;CS-0307590;NRB 00495;DivK1c_001891;CDS1_000851;HMS2180E18;5'-AMINO-(2,2',3',2'')TERFURAN-4'-CARBONITRILE;SR-01000604768-2;A817257;5'-amino-2,2':3',2''-terfuran-4'-carbonitrile;CCG-55928;Maybridge1_005603;12R-0827;2~5~-Amino[1~2~,2~2~:2~3~,3~2~-terfuran]-2~4~-carbonitrile;HMS557G15;STK794926;DB-004245;ALBB-024291;5'-Amino-(2,2':3',2''-terfuran)-4'-carbonitrile;[2,2':3',2''-Terfuran]-4'-carbonitrile, 5'-amino-;

标识符

MDL:
MFCD00099027
InChIKey:
RDQSOEAGWZLHBE-UHFFFAOYSA-N
Inchi:
1S/C13H8N2O3/c14-7-8-11(9-3-1-5-16-9)12(18-13(8)15)10-4-2-6-17-10/h1-6H,15H2
SMILES:
O1C(=C(C#N)C(C2=CC=CO2)=C1C1=CC=CO1)N

5-氨基-2,2:3,2-呋喃-4-甲腈(24386-17-2)物化性质

实验特性

  • LogP : 3.83468
  • PSA : 89.23000
  • 熔点 : 183-185°C

计算特性

  • 精确分子量 : 240.05300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 同位素质量 : 240.05349212g/mol
  • 重原子数量 : 18
  • 复杂度 : 353
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.4
  • 拓扑分子极性表面积 : 89.2Ų

5-氨基-2,2:3,2-呋喃-4-甲腈(24386-17-2)安全信息

5-氨基-2,2:3,2-呋喃-4-甲腈(24386-17-2)海关数据

海关编码:
2932190090
海关数据:

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

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%

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5-氨基-2,2:3,2-呋喃-4-甲腈(24386-17-2) MSDS

基础信息

Name:2-Amino-3-cyano-4 5-di(fur-2-yl)furan 97% Material Safety Data Sheet
Synonym:
CAS:24386-17-2
Section 1 - Chemical Product ? MSDS Name:2-Amino-3-cyano-4 5-di(fur-2-yl)furan 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
24386-17-22-Amino-3-cyano-4,5-di(fur-2-yl)furan97%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# 24386-17-2: 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: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 183 - 185 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: C13H8N2O3
Molecular Weight: 240

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 24386-17-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-3-cyano-4,5-di(fur-2-yl)furan - 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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
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 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 24386-17-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24386-17-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24386-17-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A