克罗米通 | 483-63-6

• 物质功能分类: 原料药 - 专科用药 - 皮肤科用药
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 克罗米通
• 中文别名: N-乙基-邻巴豆酰甲基苯胺；优力肤；优力夫
• 英文名称: crotamiton
• 英文别名: N-ethyl-N-(2-methylphenyl)but-2-enamide
• CAS: 483-63-6
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: DNTGGZPQPQTDQF-UHFFFAOYSA-N

物化性质

• 熔点：
  25°C
• 沸点：
  153-155 °C/13 mmHg (lit.)
• 密度：
  0.987 g/mL at 25 °C (lit.)
• 闪点：
  >230 °F
• 溶解度：
  可溶于乙醇
• LogP：
  3.099 (est)
• 物理描述：
  Solid
• 稳定性/保质期：
  按规格使用和贮存，不会发生分解，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

吸收、分配和排泄

• 吸收

当局部应用时，吸收率为10%。

10 % absorbed when applied locally.

来源:DrugBank

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36
• 危险类别码：
  R22
• WGK Germany：
  3
• 海关编码：
  2924296000
• 危险品运输编号：
  NONH for all modes of transport
• RTECS号：
  GQ7000000
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302,H315,H317,H319
• 储存条件：
  密封保存，放置在通风、干燥的地方，并避免与其它氧化物接触。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : N-Ethyl-o-crotonotoluidide
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 483-63-6
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
Acute toxicity, Oral (Category 4), H302
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Skin sensitisation (Category 1), H317
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn Harmful R22, R36/38, R43
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
H315 Causes skin irritation.
H317 May cause an allergic skin reaction.
H319 Causes serious eye irritation.
Precautionary statement(s)
P280 Wear protective gloves.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Synonyms : Crotamiton
Formula : C13H17NO
Molecular Weight : 203,28 g/mol
CAS-No. : 483-63-6
EC-No. : 207-596-3
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Crotamiton
CAS-No. 483-63-6 Acute Tox. 4; Skin Irrit. 2; Eye <= 100 %
EC-No. 207-596-3 Irrit. 2; Skin Sens. 1; H302,
H315, H317, H319
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Crotamiton
CAS-No. 483-63-6 Xn, R22 - R36/38 - R43 <= 100 %
EC-No. 207-596-3
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
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)
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 vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
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 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.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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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
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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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 153 - 155 °C at 17 hPa - lit.
boiling range
g) Flash point 113 °C - closed cup
h) Evapouration 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 0,987 g/mL at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition 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
Stable under recommended storage conditions.
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
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 1.500 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
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
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: GQ7000000
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
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

制备方法与用途

药理作用

克罗米通具有局部麻醉作用，可用于治疗各型瘙痒症。它还具备特异性杀灭疥螨的效果，能够作用于疥螨的神经系统，使其麻痹死亡。此外，克罗米通对链球菌和葡萄球菌的生长也有抑制作用。

适应症

克罗米通适用于治疗疥疮、皮肤瘙痒及继发性皮肤感染。

生物活性

克罗米通作为一种杀疥螨药物，具有止痒效果。

用途

• 抗疥螨药，用于治疗疥疮和皮肤瘙痒。
• 用于各种过敏性皮肤病。
• 可作为化妆品添加剂使用。

反应信息

• 作为反应物：
  描述：

  克罗米通 在 N,O-双(三氟乙酰基)羟胺 、 羟胺 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.33h， 生成 N-ethyl-N-o-tolylbutyramide
  参考文献：
  名称：

  连续流中的无氢烯烃还原

  摘要：

  不需要H 2或金属催化的第一次连续氢化通过新颖的试剂组合产生二酰亚胺。通过使用简单的流动反应器，可以在高温下安全运行，从而将停留时间降至最低。

  DOI：

  10.1021/ol400051n
• 作为试剂：
  描述：

  卢立康唑 在 克罗米通 作用下， 以 乙醇 为溶剂， 反应 336.0h， 生成 (-)-(E)-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolane-2-ylidene]-1H-imidazol-1-acetonitrile
  参考文献：
  名称：

  EXTERNAL PHARMACEUTICAL COMPOSITION

  摘要：

  公开号：

  EP2005958B1

文献信息

• Remote Radical Trifluoromethylation: A Unified Approach to the Selective Synthesis of γ-Trifluoromethyl α,β-Unsaturated Carbonyl Compounds
  作者：Marina Briand、Linh D. Thai、Flavien Bourdreux、Nicolas Vanthuyne、Xavier Moreau、Emmanuel Magnier、Elsa Anselmi、Guillaume Dagousset

  DOI：10.1021/acs.orglett.2c03676

  日期：2022.12.30

  Site-selective trifluoromethylation of silyl dienol ethers derived from α,β-unsaturated aldehydes, ketones, and amides was achieved for the first time in the remote γ position. This photoredox catalyzed process is quite general to compounds bearing many functionalities and is applicable to the late-stage functionalization of biorelevant molecules. The use of S-perfluoroalkyl sulfoximines as ·RF radical

  首次在远程 γ 位置实现了衍生自 α,β-不饱和醛、酮和酰胺的甲硅烷基二烯醇醚的位点选择性三氟甲基化。这种光氧化还原催化过程对于具有许多功能的化合物非常普遍，适用于生物相关分子的后期功能化。使用S-全氟烷基亚砜亚胺作为·R F自由基源可以将反应推广到其他全氟烷基（R F = CF 2 H，C 4 F 9）。重要的是，公开了一种前所未有的对映选择性 C(sp 3 )–H 全氟烷基化过程。
• Hydrogen-Free Alkene Reduction in Continuous Flow
  作者：Andrew S. Kleinke、Timothy F. Jamison

  DOI：10.1021/ol400051n

  日期：2013.2.1

  The first continuous hydrogenation that requires neither H2 nor metal catalysis generates diimide by a novel reagent combination. The simple flow reactor employed minimizes residence time by enabling safe operation at elevated temperature.

  不需要H 2或金属催化的第一次连续氢化通过新颖的试剂组合产生二酰亚胺。通过使用简单的流动反应器，可以在高温下安全运行，从而将停留时间降至最低。

表征谱图