5-甲基青光胺 | 1197-60-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5-甲基青光胺
• 中文别名: 5-甲呋硫碘
• 英文名称: methylfurmethide
• 英文别名: 5-methylfurmethiodide；5-Methylfurtrethonium iodide；Ammonium, (5-methylfurfuryl)trimethyl-, iodide；trimethyl-[(5-methylfuran-2-yl)methyl]azanium;iodide
• CAS: 1197-60-0
• 化学式: C₉H₁₆NO*I
• 分子量: 281.137
• InChiKey: IHTCZSNKQINGDD-UHFFFAOYSA-M

物化性质

• 溶解度：
  在 DMSO 中溶解度为 100 mM
• 稳定性/保质期：
  常温常压下稳定，避免与强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932190090

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 5-Methylfurmethide
CAS-No. : 1197-60-0
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin sensitization (Category 1)
Reproductive toxicity (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
May cause sensitization by inhalation and skin contact. May cause harm to the unborn child.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H317 May cause an allergic skin reaction.
H360 May damage fertility or the unborn child.
Precautionary statement(s)
P201 Obtain special instructions before use.
P280 Wear protective gloves.
P308 + P313 IF exposed or concerned: Get medical advice/ attention.
Supplemental Hazard none
Statements
Restricted to professional users.
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R42/43 May cause sensitization by inhalation and skin contact.
R61 May cause harm to the unborn child.
S-phrase(s)
S36/37 Wear suitable protective clothing and gloves.
S22 Do not breathe dust.
S53 Avoid exposure - obtain special instructions before use.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Restricted to professional users.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C9H16INO
Molecular Weight : 281,14 g/mol
Component Concentration
5-Methylfurmethide
CAS-No. 1197-60-0 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated., Prolonged exposure to iodides may produce iodism in sensitive individuals.
Symptoms of exposure include: skin rash, running nose, headache and irritation of the mucous membrane.
For severe cases the skin may show pimples, boils, hives, blisters and black and blue spots. Iodides are
readily diffused across the placenta. Neonatal deaths from respiratory distress secondary to goiter have
been reported. Iodides have been known to cause drug-induced fevers, which are usually of short duration.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Hydrogen iodide
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid exposure - obtain special instructions before use.Avoid contact with skin and eyes. Avoid formation
of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
LD50 Subcutaneous - mouse - 33 mg/kg
LD50 Intravenous - mouse - 3,795 mg/kg
Remarks: Sense Organs and Special Senses (Nose, Eye, Ear, and Taste):Eye:Lacrimation.
Gastrointestinal:Changes in structure or function of salivary glands. Kidney, Ureter, Bladder:Incontinence.
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
May cause allergic skin reaction.
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
May cause congenital malformation in the fetus.
Presumed human reproductive toxicant
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated., Prolonged exposure to iodides may produce iodism in sensitive individuals.
Symptoms of exposure include: skin rash, running nose, headache and irritation of the mucous membrane.
For severe cases the skin may show pimples, boils, hives, blisters and black and blue spots. Iodides are
readily diffused across the placenta. Neonatal deaths from respiratory distress secondary to goiter have
been reported. Iodides have been known to cause drug-induced fevers, which are usually of short duration.
Additional Information
RTECS: BR7980000

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-甲基青光胺 在 silver(l) oxide 作用下， 以 水 为溶剂， 以90%的产率得到N,N,N-trimethyl-1-(5-methylfuran-2-yl)methanammonium hydroxide
  参考文献：
  名称：

  改进的3,6-二氢-茚并茚合成

  摘要：

  摘要 该文献描述了更新的合成路线，即以3,6-二氢为茚并二苯以及所有中间体的完整表征。通过2-甲基呋喃与甲醛和二甲胺盐酸盐的曼尼希缩合，将所得胺与碘甲烷季铵化，然后通过在水中用氧化银处理将其转化为氢氧化铵盐，来制备标题化合物。随后的霍夫曼消除和[6,6] -环通过热解产生furanocyclophane，该光氧化，分子内环加成，和脱水用碳酸钠后，得到2,3,6,7-四氢-1,8-二氮杂dione-作为-茚并四烯。还原该二酮得到醇的混合物，其在弱碱性或酸性条件下脱水后，生成3,6-二氢-吲哚并烯。该结构通过X射线衍射确认，并且所有中间体通过1 H和13 C NMR光谱表征。 出版历史 收到：2020年6月11日 修订后接受：2020年8月11日 发布日期： 2020年9月2日（在线） ©2020年。Thieme。版权所有 Georg Thieme Verlag KGRüdigerstraße14，70469斯图加特，德国

  DOI：

  10.1055/s-0040-1707372
• 作为产物：
  描述：

  N,N-二甲基-5-甲基糠胺 在 碘甲烷 作用下， 生成 5-甲基青光胺
  参考文献：
  名称：

  Ing et al., British Journal of Pharmacology and Chemotherapy, 1952, vol. 7, p. 103,114

  摘要：

  DOI：

文献信息

• Preparation and Diels-Alder reactions of the [n](1,4)naphthalenophanes. Isolation of a paddlane derivative containing the tricyclo[14.2.2.21,6]docosane ring system
  作者：Kenneth B. Wiberg、Martin J. O'Donnell

  DOI：10.1021/ja00516a029

  日期：1979.10
• Alkylations with Substituted Furfurylamines
  作者：Ernest L. Eliel、Paul E. Peckham

  DOI：10.1021/ja01159a038

  日期：1950.3
• NMR studies of bond order in distorted aromatic systems
  作者：Jill E. Gready、Trevor W. Hambley、Kiyomi Kakiuchi、Kazuya Kobiro、Sever Sternhell、Charles W. Tansey、Yoshito Tobe

  DOI：10.1021/ja00177a013

  日期：1990.10
• Preparations of optically active [8][8]- and [8][10]paracyclophanes with known absolute configurations
  作者：Masao Nakazaki、Koji Yamamoto、Masayuki Ito、Shigeo Tanaka

  DOI：10.1021/jo00442a003

  日期：1977.10
• Syntheses of [8][8]- and [8][10]paracyclophanes
  作者：Masao Nakazaki、Koji Yamamoto、Sigeo Tanaka

  DOI：10.1021/jo00888a007

  日期：1976.12