3-羟基-2-甲基吡啶

3-羟基-2-甲基吡啶 基本信息
CAS号 1121-25-1 分子式 C6H7NO
分子量 109.12600 精确质量 　109.05300
PSA 　33.12000 LogP 　1.09560
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
1121-25-1
3D弹球模型：
立即前往扯扯看
分子式：
C6H7NO
分子量：
109.12600
中文名称：
3-羟基-2-甲基吡啶
英文名称：
3-Hydroxy-2-methylpyridine
中文别名：
3-羟基-2-甲基吡啶;
2甲基3羟基吡啶;
2-甲基-3-羟基吡啶
英文别名：
3-Hydroxy-2-methylpyridine;
2-methylpyridin-3-ol;
2-Methylpyridin-3-ol
精确分子量/精确质量：
109.05300
极性分子表面积/PSA：
33.12000
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。
贝尔斯坦号/MDL：
MFCD00082538
EINECS：
214-327-3
PubChem：
24856279
BRN：
107937
InChI：
InChI=1/C6H7NO/c1-5-6(8)3-2-4-7-5/h2-4,8H,1H3

物化性质展开↓

外观与性状：
米色-棕色粉末
密度：
1.12 g/cm3
熔点：
168-169 °C(lit.)
沸点：
287.1ºC at 760 mmHg
闪点：
127.4ºC
折射率：
1.55
蒸汽压：
0.00147mmHg at 25°C
存储条件/存储方法：

保持容器密封，储存在阴凉，干燥的地方 

稳定性相关：

 常温常压下稳定，避免氧化物接触

其它信息：

1.       性状：粉末

2.       密度（g/mL,25℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：168-169

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,15mmHg）：未确定

7.       折射率(n20/D)：未确定

8.       闪点（ºC）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（mmHg,20ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：未确定

安全信息展开↓

海关代码：
2933399090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R22;R36/37/38;R41
安全说明：
S26-S37/39-S36/37/39
危险标志：
Xn:Harmful

合成路线查看所有的合成路线

  • 109-06-8

    2-甲基吡啶

  • →

    ~82%

  • 1121-25-1

    3-羟基-2-甲基吡啶

  • 2168-13-0

    2-(二甲基氨甲基)-3-羟基吡啶

  • →

    ~66%

  • 1121-25-1

    3-羟基-2-甲基吡啶

  • 154-17-6

    D-2-脱氧葡萄糖

  • →

    ~27%

  • 1121-25-1

    3-羟基-2-甲基吡啶

  • +

  • 1072-83-9

    2-乙酰基吡咯

毒理性展开↓

毒理学数据：

皮肤、粘膜有刺激作用。

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Name: 3-Hydroxy-2-methylpyridine 99% Material Safety Data Sheet
Synonym: 2-Methyl-3-pyridino
CAS: 1121-25-1
Section 1 - Chemical Product   MSDS Name:3-Hydroxy-2-methylpyridine 99% Material Safety Data Sheet
Synonym:2-Methyl-3-pyridino
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1121-25-1 3-Hydroxy-2-methylpyridine 99% 214-327-3
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
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:
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# 1121-25-1: 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: off-white to tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 168-169 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: C6H7NO
Molecular Weight: 109.0551
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1121-25-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Hydroxy-2-methylpyridine - 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
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1121-25-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1121-25-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1121-25-1 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：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
摘要/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%

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：31.50

2、   摩尔体积（m3/mol）：97.3

3、   等张比容（90.2K）：254.0

4、   表面张力（dyne/cm）:46.3

5、   介电常数：无可用

6、   偶极距（10-24cm3）：无可用

7、   极化率：12.30

计算化学数据

1.疏水参数计算参考值（XlogP）:0.9

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:3

6.拓扑分子极性表面积33.1

7.重原子数量:8

8.表面电荷:0

9.复杂度:74.9

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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