1678-53-1 (3-甲基-4-硝基吡啶,3-methyl-4-nitro-pyridine)

CAS号:
1678-53-1
中文名称:
3-甲基-4-硝基吡啶
英文名称:
3-methyl-4-nitro-pyridine
分子式:
C6H6N2O2
分子量:
138.124041080475

3-甲基-4-硝基吡啶(1678-53-1)名称与标识符

名称

中文别名:
3-甲基-4-硝基吡啶;3-甲基-4-硝基吡啶盐酸盐;4-硝基-3-甲基吡啶;铊氢三[3-(2-吡啶基)吡唑-1-基]硼酸;4-硝基-3-甲基吡啶盐酸盐;
英文别名:
3-Methyl-4-nitropyridine;4-NITRO-3-PICOLINE;4-NITRO-3-PICOLINE HCL;IFLAB-BB F1371-0142;4-Nitro-3-picoline hydrochloride;3-Methyl-4-nitro pyridine.HCl;4-Nitro-3-methylpyridine;3-Picoline,4-nitro- (6CI,7CI,8CI);3-Picoline, 4-nitro-;3-methyl-4-nitro-pyridine;PubChem6642;Pyridine, 3-methyl-4-nitro-;FCH926026;WT1515;VP10388;RP20417;PB15731;ZB010683;AX8032212;AB1005367;AB005100;1678-53-1;FT-0650459;DTXSID60168372;A810913;AKOS002663477;SY028273;J-512857;EN300-67414;SCHEMBL171809;AC-25148;MFCD03095084;CS-0051256;AM20050866;F1371-0142;AS-38162;DB-000197;

标识符

MDL:
MFCD03095084
InChIKey:
UYAWSMUOLFSNGC-UHFFFAOYSA-N
Inchi:
1S/C6H6N2O2/c1-5-4-7-3-2-6(5)8(9)10/h2-4H,1H3
SMILES:
[O-][N+](C1C=CN=CC=1C)=O

3-甲基-4-硝基吡啶(1678-53-1)物化性质

实验特性

  • LogP : 1.82140
  • PSA : 58.71000
  • 折射率 : 1.558
  • 沸点 : 244.2°Cat760mmHg
  • 闪点 : 101.5°C
  • 颜色与性状 : Pale-yellow to Yellow-brown Liquid
  • 密度 : 1.246

计算特性

  • 精确分子量 : 138.04300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 138.043
  • 重原子数量 : 10
  • 复杂度 : 132
  • 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
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 58.7

3-甲基-4-硝基吡啶(1678-53-1)安全信息

3-甲基-4-硝基吡啶(1678-53-1)海关数据

海关编码:
2933399090
海关数据:

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-甲基-4-硝基吡啶(1678-53-1)相关文献

3-甲基-4-硝基吡啶(1678-53-1)参考资料

Beilstein:
M174892
PubChem CID:

3-甲基-4-硝基吡啶(1678-53-1) MSDS

基础信息

Name:4-Nitro-3-picoline Material Safety Data Sheet
Synonym:3-Methyl-4-nitropyridin
CAS:1678-53-1
Section 1 - Chemical Product ? MSDS Name:4-Nitro-3-picoline Material Safety Data Sheet
Synonym:3-Methyl-4-nitropyridin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
1678-53-14-Nitro-3-picolineunlisted
Hazard Symbols: XN
Risk Phrases: 21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful 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:
Causes respiratory tract irritation. May be harmful if inhaled.
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# 1678-53-1: 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: Powder
Color: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C6H6N2O2
Molecular Weight: 138.12

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 1678-53-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Nitro-3-picoline - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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.
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# 1678-53-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1678-53-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1678-53-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A