55804-70-1 (香豆素 307,Coumarin 307)

CAS号:
55804-70-1
中文名称:
香豆素 307
英文名称:
Coumarin 307
分子式:
C13H12F3NO2
分子量:
271.235094070435

香豆素 307(55804-70-1)名称与标识符

名称

中文别名:
香豆素 307;7-乙基氨基-6-甲基-4-三氟甲基香豆素;香豆素;7-(乙胺基)-6-甲基-4-(三氟甲基)-2H-吡喃-2-酮;
英文别名:
Coumarin 307;7-Ethylamino-6-methyl-4-trifluoromethylcoumarin;7-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one;2H-1-Benzopyran-2-one,7-(ethylamino)-6-methyl-4-(trifluoromethyl);7-(Ethylamino)-6-methyl-4-(trifluoromethyl)-2H-chromen-2-one;Coumarin 503;coumarin C307;NSC-338966;5QGX849ZTL;CHEMBL2007046;EINECS 259-828-8;7-(Ethylamino)-6-methyl-4-(trifluoromethyl)-2-benzopyrone;starbld0016866;7-(Ethylamino)-6-methyl-4-(trifluoromethyl)-2H-chromen-2-;CB07516;AKOS001581141;BB 0260533;DTXSID9069055;SMSF0014455;coumarin-307;SCHEMBL142712;7-(Ethylamino)-6-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one;NCI60_002991;HMS1648B05;CBMicro_005437;NSC 338966;CS-0322921;NS00054972;7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin;SR-01000597172;NSC338966;2H-1-Benzopyran-2-one, 7-(ethylamino)-6-methyl-4-(trifluoromethyl)-;Coumarin307;NRZJOTSUPLCYDJ-UHFFFAOYSA-N;SR-01000597172-1;BIM-0005339.P001;55804-70-1;7-(Ethylamino)-6-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one; 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin; Coumarin 503; NSC 338966;;STK500544;

标识符

InChIKey:
NRZJOTSUPLCYDJ-UHFFFAOYSA-N
Inchi:
1S/C13H12F3NO2/c1-3-17-10-6-11-8(4-7(10)2)9(13(14,15)16)5-12(18)19-11/h4-6,17H,3H2,1-2H3
SMILES:
FC(C1=CC(=O)OC2C=C(C(C)=CC=21)NCC)(F)F

香豆素 307(55804-70-1)物化性质

实验特性

  • LogP : 3.62500
  • PSA : 42.24000
  • 折射率 : 1.547
  • 沸点 : 338.5ºC at 760mmHg
  • 熔点 : 184 ºC
  • 闪点 : 158.5ºC
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.2806 (estimate)

计算特性

  • 精确分子量 : 271.08200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 2
  • 同位素质量 : 271.082
  • 重原子数量 : 19
  • 复杂度 : 392
  • 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) : 3.1
  • 互变异构体数量 : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 38.3A^2

香豆素 307(55804-70-1)安全信息

香豆素 307(55804-70-1)国际标准相关数据

EINECS:
259-828-8

香豆素 307(55804-70-1)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 307(55804-70-1)相关文献

香豆素 307(55804-70-1) MSDS

基础信息

Name:Coumarin 307 laser grade 98% (uv-vis) Material Safety Data Sheet
Synonym:7-Ethylamino-6-methyl-4-trifluoromethylcoumarin
CAS:55804-70-1
Section 1 - Chemical Product ? MSDS Name:Coumarin 307 laser grade 98% (uv-vis) Material Safety Data Sheet
Synonym:7-Ethylamino-6-methyl-4-trifluoromethylcoumarin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
55804-70-1Coumarin 307, laser grade98%259-828-8
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 gastrointestinal irritation with nausea, vomiting and diarrhea. 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. Get medical aid immediately. 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:
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. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 55804-70-1: 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: green - yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 184 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: C13H12F3NO2
Molecular Weight: 271.23

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, hydrogen fluoride gas, organic fluorides.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 55804-70-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Coumarin 307, laser grade - 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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 55804-70-1: No information available.
Canada
CAS# 55804-70-1 is listed on Canada's NDSL List.
CAS# 55804-70-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 55804-70-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A