26078-25-1 (香豆素 2,Coumarin 2)

CAS号:
26078-25-1
中文名称:
香豆素 2
英文名称:
Coumarin 2
安全信息:
分子式:
C13H15NO2
分子量:
217.263703584671
简介:
香豆素 2,CAS NO是26078-25-1,中文别名是4,6-二甲基-7-乙基氨基香豆素。

香豆素 2(26078-25-1)名称与标识符

名称

中文别名:
香豆素 2;4,6-二甲基-7-乙基氨基香豆素;7-(乙氨基)-4,6-二甲基香豆素;7-(Ethylamino)-4,6-dimethylcoumarin 7-(乙氨基)-4,6-二甲基香豆素;7-(乙氨基)-4,6-二甲基-2H-1-苯并吡喃-2-酮;香豆素2、7-(乙氨基)-4,6-二甲基香豆素;香豆素450;香豆素 450;
英文别名:
Coumarin 2;4,6-Dimethyl-7-ethylaminocoumarin;7-(Ethylamino)-4,6-dimethyl-2-benzopyrone;7-(Ethylamino)-4,6-dimethylcoumarin;7-(ethylamino)-4,6-dimethylchromen-2-one;7-Ethylamino-4,6-dimethyl-chromen-2-one;2H-1-Benzopyran-2-one,7-(ethylamino)-4,6-dimethyl;4,6-Dimethyl-7-(ethylamino)coumarin;7-(Ethylamino)-4,6-dimethyl-2H-chromen-2-one;7-Ethylamino-4,6-dimethyl coumarin;Coumarin 2,laser grade;Coumarin 450;2H-1-Benzopyran-2-one, 7-(ethylamino)-4,6-dimethyl-;Coumarin, 7-(ethylamino)-4,6-dimethyl-;4,6-Dimethyl-7-ethylamino coumarin;NS;NSC 93963;7-(ethylamino)-4,6-dimethyl-chromen-2-one;T72183;7-(ethylamino)-4,6-dimethyl-2h-1-benzopyran-2-one;Cumarin2;EINECS 247-446-4;Oprea1_665148;NSC-93963;K6QVX5PW75;7-(ethylamino)-4, 6-dimethylchromen-2-one;CS-0312777;AB00091627-01;2H-1-Benzopyran-2-one,6-dimethyl-;MFCD00006860;4, 6-Dimethyl-7-(ethylamino)coumarin;FT-0638569;NS00051809;CCRIS 4958;UNII-K6QVX5PW75;AS-68754;26078-25-1;QZXAEJGHNXJTSE-UHFFFAOYSA-N;DTXSID20885331;Coumarin,6-dimethyl-;Oprea1_750317;7-(Ethylamino)-4,6-dimethyl-2H-chromen-2-one #;E1132;AKOS000301558;SCHEMBL981538;NSC93963;W-110649;STK325357;DB-046826;BBL000649;

标识符

MDL:
MFCD00006860
InChIKey:
QZXAEJGHNXJTSE-UHFFFAOYSA-N
Inchi:
1S/C13H15NO2/c1-4-14-11-7-12-10(5-9(11)3)8(2)6-13(15)16-12/h5-7,14H,4H2,1-3H3
SMILES:
O1C(C=C(C)C2C=C(C)C(=CC1=2)NCC)=O

香豆素 2(26078-25-1)物化性质

实验特性

  • LogP : 2.91460
  • PSA : 42.24000
  • 折射率 : 1.5300 (estimate)
  • 水溶性 : 微溶
  • 沸点 : 357.82°C (rough estimate)
  • 熔点 : 165.0 to 169.0 deg-C
  • 闪点 : 186.3ºC
  • 颜色与性状 : 无可用
  • 稳定性 : Stable. Incompatible with strong oxidizing agents.
  • 溶解性 : 略溶于水
  • 最大波长(λmax) : 366(MeOH)(lit.)
  • 密度 : 1.0960 (rough estimate)

计算特性

  • 精确分子量 : 217.11000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 217.11
  • 重原子数量 : 16
  • 复杂度 : 311
  • 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) : 2.5
  • 互变异构体数量 : 7
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 38.3

香豆素 2(26078-25-1)国际标准相关数据

EINECS:
4958

香豆素 2(26078-25-1)海关数据

海关编码:
2932209090
海关数据:

中国海关编码:

2932209090

概述:

2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 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:

2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

香豆素 2(26078-25-1)相关文献

香豆素 2(26078-25-1)参考资料

Reaxys RN:
6141061
Beilstein:
E156485
PubChem CID:

香豆素 2(26078-25-1) MSDS

基础信息

Name:Coumarin 2 Laser Grade 99+% (UV-Vis) Material Safety Data Sheet
Synonym:4,6-Dimethyl-7-ethylaminocoumarin ; 2H-1-Benzopyran-2-One,7-(Ethylamino)-4,6-Dimethyl-
CAS:26078-25-1
Section 1 - Chemical Product ? MSDS Name:Coumarin 2 Laser Grade 99+% (UV-Vis) Material Safety Data Sheet
Synonym:4,6-Dimethyl-7-ethylaminocoumarin ; 2H-1-Benzopyran-2-One,7-(Ethylamino)-4,6-Dimethyl-

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
26078-25-12H-1-Benzopyran-2-One,7-(Ethylamino)-4>99247-446-4
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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:
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 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:
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. Remove contaminated clothing and wash before reuse. 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# 26078-25-1: 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:
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: Crystalline powder
Color: yellow to yellow-green
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 168 - 170 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: slightly soluble in water
Specific Gravity/Density:
Molecular Formula: C13H15NO2
Molecular Weight: 217.27

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 26078-25-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2H-1-Benzopyran-2-One,7-(Ethylamino)-4,6-Dimethyl- - 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.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 37/39 Wear suitable gloves and eye/face
protection.
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# 26078-25-1: No information available.
Canada
CAS# 26078-25-1 is listed on Canada's DSL List.
CAS# 26078-25-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26078-25-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A