1885-35-4 (3,4,5-三甲氧基苯腈,3,4,5-Trimethoxybenzonitrile)

CAS号:
1885-35-4
中文名称:
3,4,5-三甲氧基苯腈
英文名称:
3,4,5-Trimethoxybenzonitrile
安全信息:
分子式:
C10H11NO3
分子量:
193.199242830276

3,4,5-三甲氧基苯腈(1885-35-4)名称与标识符

名称

中文别名:
3,4,5-三甲氧基苯腈;3,4,5-三甲氧基苯甲腈;1,3-二苯基-1,3-双(三甲基硅氧基)二硅氧烷;3,4,5-三甲氧基苄腈;5-三甲氧基苯腈;3,4,5-三甲氧基苯甲腈,97%;
英文别名:
3,4,5-Trimethoxybenzonitrile;3.4.5-Trimethoxybenzonitrile;3,4,5-Trimethoxybenzenecarbonitrile;3,4,5-Trimethoxy-benzonitril;3,4,5-trimethoxy-benzonitrile;3.4.5-Trimethoxy-benzoesaeure-nitril;5-Cyan-pyrogallol-trimethylaether;BENZONITRILE,3,4,5-TRIMETHOXY;EINECS 217-550-4;Trimethylaethergallussaeure-nitril;TIMTEC-BB SBB007562;3,4,5-Trimethoxybenz;5-TriMethoxybenzonitrile;Benzonitrile, 3,4,5-trimethoxy-;3,4,5-TRIMETHOXYBENZONITRILE 98+%;3,4,5-Trimethoxybenzonitrile, 97+%;GM6MN5DJ9R;OSBQUSPVORCDCU-UHFFFAOYSA-N;NSC408924;PubChem13110;3,5-Trimethoxybenzonitrile;2,5-Trimethoxybenzonitrile;Benzonitrile,4,5-trimethoxy-;3,4,5-Trimethoxy benzonitrile;3,4,5,-Trimethoxybenzonitril;NSC-408924;SCHEMBL509507;AKOS001079104;NSC 408924;F9995-1615;SY048584;3,5-Trimethoxybenzenecarbonitrile;W-107754;AB01323830-02;InChI=1/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H;BRN 0979686;FT-0614165;CS-W015775;T3244;Benzonitrile, 3,4,5-tri-methoxy-;3,4,5-Trimethoxybenzonitrile, 95%;UNII-GM6MN5DJ9R;Z57899732;DTXSID70172203;NS00026173;AS-44239;EN300-18320;MFCD00001803;A813236;1885-35-4;NCGC00329669-01;DTXCID1094694;STL353607;DB-044676;4-10-00-02024 (Beilstein Handbook Reference);AE-641/00664033;FT36675;

标识符

MDL:
MFCD00001803
InChIKey:
OSBQUSPVORCDCU-UHFFFAOYSA-N
Inchi:
1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3
SMILES:
O(C)C1C(=CC(C#N)=CC=1OC)OC
BRN:
0979686

3,4,5-三甲氧基苯腈(1885-35-4)物化性质

实验特性

  • LogP : 1.58408
  • PSA : 51.48000
  • 折射率 : 1.5300 (estimate)
  • 沸点 : 185°C/10mmHg(lit.)
  • 熔点 : 92.0 to 96.0 deg-C
  • 闪点 : 180-185°C/10mm
  • 颜色与性状 : 粉末
  • 溶解性 : 未确定
  • 密度 : 1.2307 (rough estimate)

计算特性

  • 精确分子量 : 193.07400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 193.073893
  • 重原子数量 : 14
  • 复杂度 : 209
  • 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) : 1.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 51.5

3,4,5-三甲氧基苯腈(1885-35-4)安全信息

3,4,5-三甲氧基苯腈(1885-35-4)国际标准相关数据

EINECS:
408924

3,4,5-三甲氧基苯腈(1885-35-4)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%

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3,4,5-三甲氧基苯腈(1885-35-4)相关文献

3,4,5-三甲氧基苯腈(1885-35-4)参考资料

Reaxys RN:
979686
Beilstein:
217-550-4
PubChem CID:

3,4,5-三甲氧基苯腈(1885-35-4) MSDS

基础信息

Name:3 4 5-Trimethoxybenzonitrile 97% Material Safety Data Sheet
Synonym:None Known
CAS:1885-35-4
Section 1 - Chemical Product ? MSDS Name:3 4 5-Trimethoxybenzonitrile 97% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
1885-35-43,4,5-Trimethoxybenzonitrile97217-550-4
Hazard Symbols: XN
Risk Phrases: 21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration.
Ingestion:
May cause irritation of the digestive tract. May cause cardiac disturbances. The toxicological properties of this substance have not been fully investigated. May cause central nervous system depression.
Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May cause cardiac abnormalities. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. Chronic exposure to cyanide solutions may lead to the development of a "cyanide" rash, characterized by itching, and by macular, papular, and vesicular eruptions, and may be accompanied by secondary infections. Exposure to small amounts of cyanide compounds over long periods of time is reported to cause loss of appetite, headache, weakness, nausea, dizziness, and symptoms of irritation of the upper respiratory tract and eyes.

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. 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:
May be partially metabolized to cyanide in the body.
Antidote: Always have a cyanide antidote kit on hand when working with cyanide compounds. Get medical advice to use.

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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. 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, well-ventilated area away from incompatible substances.

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# 1885-35-4: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Powder
Color: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 180 - 185 deg C @ 10.00mmHg
Freezing/Melting Point: 91.00 - 94.00 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: C10H11NO3
Molecular Weight: 193.20

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, cyanide fumes, nitrogen oxides (NOx) and ammonia (NH3).
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 1885-35-4: DI4965000 LD50/LC50:
Not available.
Carcinogenicity:
3,4,5-Trimethoxybenzonitrile - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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 21/22 Harmful in contact with skin and if
swallowed.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
WGK (Water Danger/Protection)
CAS# 1885-35-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1885-35-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1885-35-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A