4-甲氧基-3-硝基苯甲腈

4-甲氧基-3-硝基苯甲腈 基本信息
CAS号 33224-23-6 分子式 C8H6N2O3
分子量 178.14500 精确质量 　178.03800
PSA 　78.84000 LogP 　1.99828
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 上下游

基本信息 展开↓

CAS号：
33224-23-6
3D弹球模型：
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分子式：
C8H6N2O3
分子量：
178.14500
中文名称：
4-甲氧基-3-硝基苯甲腈
英文名称：
4-METHOXY-3-NITROBENZONITRILE
中文别名：
4-甲氧基-3-硝基苯甲腈;
3,4,5-trichloropyridine;
2-Methyl-1-propyl-1H-imidazol;
3-(2-methyl-1H-imidazol-1-yl)propanacid;
2-methyl-1-propylimidazole;
1-Propyl-2-methylimidazol;
1-propyl-2-Methylimidazole;
H-Pro-Nhch3 Hcl;
2-Pyrrolidinecarboxamide,N-methyl-, hydrochloride (1:1), (2S)-;
Quadrosilan;
PROMIDON;
N-(3,5-dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide;
3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;
Procymidone;
TIMTEC-BB SBB004207;
RARECHEM AL BD 0762;
imidazol-4-ylmethanol hydrochloride;
4-Hydromethylimidazole HCL;
1H-Imidazole-4-methanol, monohydrochloride;
4(5)-imidazolemethanol hydrochloride;
1H-imidazol-5-ylmethanol hydrochloride (1:1);
4-Imidazolemethanol HCL;
4-Hydroxymethylimidazole hydrochloride;
p-(1-Oxo-2-isoindolinyl)hydratropic acid;
Hydratropic acid, p-(1-oxo-2-isoindolinyl)-;
2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid;
Benzeneacetic acid,4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-a-methyl-;
Tocris-0455;
(2S);
S-(-)-carbidopa
英文别名：
4-METHOXY-3-NITROBENZONITRILE;
3-Nitro-anissaeure-nitril;
2-Nitro-4-cyanoanisol;
4-methoxy-3-nitrobenzenecarbonitrile;
4-Methoxy-3-nitro-benzonitril;
3-Nitro-4-methoxy-benzoesaeure-nitril;
5-Cyano-2-methoxynitrobenzene;
3-Nitro-4-methoxybenzonitrile;
4-methoxy-3-nitro-benzonitrile
精确分子量/精确质量：
178.03800
极性分子表面积/PSA：
78.84000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
InChI=1/C8H6N2O3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,1H3

物化性质展开↓

密度：
1.32g/cm3
熔点：
148-150ºC
沸点：
330.2ºC at 760mmHg
闪点：
153.5ºC
折射率：
1.563

安全信息展开↓

海关代码：
2926909090
危险类别码：
20/21/22-36/37/38
安全说明：
26-36/37/39
危险标志：
Xn:Harmful;

合成路线查看所有的合成路线

  • 3272-08-0

    4-羟基-3-硝基苯甲腈

  • +

  • 77-78-1

    硫酸二甲酯

  • →

    ~99%

  • 33224-23-6

    4-甲氧基-3-硝基苯甲腈

  • 874-90-8

    4-甲氧基苯甲腈

  • →

    ~97%

  • 33224-23-6

    4-甲氧基-3-硝基苯甲腈

  • 3272-08-0

    4-羟基-3-硝基苯甲腈

  • +

  • 74-88-4

    甲基碘

  • →

    ~74%

  • 33224-23-6

    4-甲氧基-3-硝基苯甲腈

MSDS 展开↓

Name: 4-Methoxy-3-nitrobenzonitrile 97% Material Safety Data Sheet
Synonym:
CAS: 33224-23-6
Section 1 - Chemical Product   MSDS Name:4-Methoxy-3-nitrobenzonitrile 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
33224-23-6 4-Methoxy-3-nitrobenzonitrile unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with 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:
Treat symptomatically and supportively.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
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.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
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# 33224-23-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 148 - 150 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: C8H6N2O3
Molecular Weight: 178
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acids, bases, oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 33224-23-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methoxy-3-nitrobenzonitrile - 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
Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III
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.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 33224-23-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33224-23-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33224-23-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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
摘要/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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