16728-00-0 (1-(4-甲氧基苯基)环丙甲腈,1-(4-Methoxyphenyl)cyclopropanecarbonitrile)

CAS号:
16728-00-0
中文名称:
1-(4-甲氧基苯基)环丙甲腈
英文名称:
1-(4-Methoxyphenyl)cyclopropanecarbonitrile
分子式:
C11H11NO
分子量:
173.211142778397

1-(4-甲氧基苯基)环丙甲腈(16728-00-0)名称与标识符

名称

中文别名:
1-(4-甲氧基苯)-1''-环丙腈;1-(4-甲氧基苯)-1'-环丙腈;1-(4-甲氧基苯)-1-环丙腈;1-(4-甲氧基苯基)-1-环丙胺甲腈;1-(4-甲氧基苯基)环丙烷乙腈;1-(4-甲氧基苯基)环丙甲腈;1-(4-甲氧苯基)环丙基腈;1-(4-甲氧苯基)-1-环丙基腈;1-(4-甲氧苯基)环丙烷-1-甲腈;1 - (4 - 甲氧基苯基)环丙烷甲腈;
英文别名:
1-(4-Methoxyphenyl)cyclopropanecarbonitrile;1-(4-Methoxyphenyl)-1-cyclopropanecarbonitrile;1-(4-METHOXY-PHENYL)-CYCLOPROPANECARBONITRILE;Cyclopropanecarbonitrile,1-(4-methoxyphenyl)-;1-(4-methoxyphenyl)cyclopropane-1-carbonitrile;1-(4-Methoxyphenyl)-1-cyclopropanecarbonitrile,96%;1-(4-Methoxyphenyl)-1-cyclopropanecarbonitrile, 96% 25GR;SCHEMBL1018321;DTXSID70168262;AB01255;1-(4-methoxyphenyl)-cyclopropane-1-carbonitrile;5-methoxybenzo[b]thiophen-2-ylboronic?acid;EINECS 240-786-4;FT-0637408;MFCD00019212;TS-02373;AKOS000266535;BB 0254805;CYCLOPROPANECARBONITRILE, 1-(4-METHOXYPHENYL)-;CS-0046217;1-(4-Methoxy-phenyl)cyclopropanecarbonitrile;EN300-1845015;AM85276;NSC 155169;NS00025483;NSC155169;16728-00-0;4-(1-Cyanocyclopropyl)anisole;NSC-155169;A810844;OIQRGAQXQLASRC-UHFFFAOYSA-N;DB-043687;STK503633;ALBB-005936;

标识符

MDL:
MFCD00019212
InChIKey:
OIQRGAQXQLASRC-UHFFFAOYSA-N
Inchi:
1S/C11H11NO/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5H,6-7H2,1H3
SMILES:
O(C)C1C=CC(=CC=1)C1(C#N)CC1

1-(4-甲氧基苯基)环丙甲腈(16728-00-0)物化性质

实验特性

  • LogP : 2.25038
  • PSA : 33.02000
  • 折射率 : 1.5415-1.5435
  • 沸点 : 315.3±35.0 °C at 760 mmHg
  • 熔点 : No data available
  • 闪点 : 133.0±19.8 °C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.08

计算特性

  • 精确分子量 : 173.08400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 173.084064
  • 重原子数量 : 13
  • 复杂度 : 228
  • 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) : 1.9
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 33

1-(4-甲氧基苯基)环丙甲腈(16728-00-0)国际标准相关数据

EINECS:
240-786-4

1-(4-甲氧基苯基)环丙甲腈(16728-00-0)海关数据

海关编码:
2926909090
海关数据:

中国海关编码:

2926909090

概述:

2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

1-(4-甲氧基苯基)环丙甲腈(16728-00-0)推荐厂家 更多厂家(13)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
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上海一基实业有限公司 13311756052
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金锦乐(湖南)化学有限公司 金锦乐 1226360695
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JACS-郑州杰克斯化工产品有限公司 15981966935
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上海源叶生物科技有限公司 15026964105
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江苏艾康生物医药研发有限公司 18795912720
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上海麦克林生化科技股份有限公司 15221275939
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上海阿拉丁生化科技股份有限公司 13167063860
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1-(4-甲氧基苯基)环丙甲腈(16728-00-0)上下游

1-(4-甲氧基苯基)环丙甲腈(16728-00-0)参考资料

Beilstein:
MFCD00019212
PubChem CID:

1-(4-甲氧基苯基)环丙甲腈(16728-00-0) MSDS

基础信息

Name:1-(4-METHOXYPHENYL)-1-CYCLOPROPANE- CARBONITRILE Material Safety Data Sheet
Synonym:
CAS:16728-00-0
Section 1 - Chemical Product ? MSDS Name:1-(4-METHOXYPHENYL)-1-CYCLOPROPANE- CARBONITRILE Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
16728-00-01-(4-METHOXYPHENYL)-1-CYCLOPROPANE-240-786-4
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

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.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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.
Notes to Physician:

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 agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 16728-00-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Not available.
Color: Not available.
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 0 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: 1.0840g/cm3
Molecular Formula: C11H11NO
Molecular Weight: 173.21

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 16728-00-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-METHOXYPHENYL)-1-CYCLOPROPANE- CARBONITRILE - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 16728-00-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16728-00-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16728-00-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A