Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate | 13161-28-9

• 物质功能分类: 生物化工 - 生化试剂 - 生物染料
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate
• 英文别名: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate;perchloric acid
• CAS: 13161-28-9
• 化学式: C28H31ClN2O7
• mdl: MFCD07433666
• 分子量: 543.0
• InChiKey: HDAFVOZRAUFNQH-UHFFFAOYSA-N

物化性质

• 熔点：
  263-265 °C
• 密度：
  1.1631 (rough estimate)
• 稳定性/保质期：

  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  5.35
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  8

ADMET

毒理性

• 致癌性证据

没有关于人类的数据可用。动物致癌性证据有限。总体评估：第3组：该物质对人类致癌性无法分类。

No data are available in humans. Limited evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

国际癌症研究机构致癌物：罗丹明 6G

IARC Carcinogenic Agent:Rhodamine 6G

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构（IARC）致癌物分类：第3组：无法归类其对人类致癌性

IARC Carcinogenic Classes:Group 3: Not classifiable as to its carcinogenicity to humans

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构专论：第16卷（1978年）一些芳香胺及其相关硝基化合物 - 染发剂、着色剂和杂项工业化学品

IARC Monographs:Volume 16: (1978) Some Aromatic Amines and Related Nitro Compounds – Hair Dyes, Colouring Agents and Miscellaneous Industrial Chemicals

来源:International Agency for Research on Cancer (IARC)

毒理性

• 解毒与急救

在处理被阳离子染料污染的眼睛时，急救措施旨在去除尚未与组织发生反应的染料。这包括大量冲洗、机械去除颗粒，在颜色铅笔嵌入的情况下可能需要手术探查和小心移除颗粒。单宁或单宁酸的溶液能沉淀阳离子染料并使其基本上无害，但这只能处理尚未与组织发生反应的那部分染料。实验确定，如果在兔子眼睛应用粉末状基本染料后三分钟内应用5%至10%的单宁溶液，基本上具有预防作用，但三分钟后这种治疗的有效性迅速降低。其他形式的化学治疗旨在去除结合的和过量的染料。然而，阳离子染料与体外角膜反应的研究表明，这些染料与组织的结合非常牢固，非常难以从组织中去除……/阳离子染料/

In treatment of eyes contaminated with cationic dyes, first aid measures are aimed at getting rid of dye which has not yet reacted with the tissues. This includes copious irrigation, mechanical removal of particles, and in the case of imbedded colored pencil may necessitate surgical exploration and careful removal of the particles. Solutions of tannin or tannic acid precipitate cationic dyes and render them essentially noninjurious, but this disposes of only that portion of the dye which has not already reacted with the tissues. /It was/ determined experimentally that a 5% to 10% solution of tannin was effective essentially in a prophylactic sense if applied within three minutes following application of powdered basic dyes to the eyes of rabbits, but that the effectiveness of this treatment rapidly diminished after three minutes. Other forms of chemical treatment have been aimed at removing both combined and excess dye. However, studies of the reaction of cationic dyes with cornea in vitro have shown these dyes to bind very tenaciously and to be very difficult to remove from combination with the tissue. ... /Cationic dyes/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

罗丹明6G表现出高血浆蛋白结合。

RHODAMINE 6G EXHIBITS HIGH PLASMA PROTEIN BINDING.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

罗丹明6G和罗丹明B在给狗（未指明品种、年龄和性别）静脉输注1毫克/分钟染料后，通过分泌素或胆囊收缩素-胰腺酶刺激，在现场被报告在胰腺液中排出。未报告排出速率。

Rhodamine 6G and rhodamine B were reported to be excreted in the pancreatic juice in situ after intravenous infusion of 1 mg dye per minute to dogs (strain, age, and sex not specified) followed by the administration of secretin or cholecystokinin-pancreozymin stimulation. The rate of excretion was not reported.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S36,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  32041300

SDS

Name:	Rhodamine 6g Perchlorate Laser Grade 99% (TLC) Material Safety Data Sheet
Synonym:
CAS:	13161-28-9

Section 1 - Chemical Product MSDS Name:Rhodamine 6g Perchlorate Laser Grade 99% (TLC) Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13161-28-9	Xanthylium,9-2-(ethoxycarbonyl)phenyl-	99	236-099-4

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Causes irritation of the mucous membrane and upper respiratory tract.
Chronic:
No information found.

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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:

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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.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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 area away from incompatible substances.

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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# 13161-28-9: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: red-pink
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 252 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C28H31ClN2O7
Molecular Weight: 542.67

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13161-28-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Xanthylium,9-2-(ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-,7 - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 13161-28-9: No information available.
Canada
CAS# 13161-28-9 is listed on Canada's NDSL List.
CAS# 13161-28-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13161-28-9 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：适于用作激光染料