(6-氨基-3-吡啶基)甲醇

(6-氨基-3-吡啶基)甲醇 基本信息
CAS号 113293-71-3 分子式 C6H8N2O
分子量 124.14100 精确质量  124.06400
PSA  59.14000 LogP  0.73730

基本信息 展开↓

CAS号:
113293-71-3
3D弹球模型:
立即前往扯扯看
分子式:
C6H8N2O
分子量:
124.14100
中文名称:
(6-氨基-3-吡啶基)甲醇
英文名称:
2-Amino-5-hydroxymethylpyridine
中文别名:
(6-氨基-3-吡啶基)甲醇;
6-氨基-3-吡啶基甲醇;
2-胺基-5-羟甲基吡啶
英文别名:
2-Amino-5-hydroxymethylpyridine;
(6-Aminopyridin-3-yl)methanol;
(6-Amino-3-pyridinyl)methanol;
2-Amino-5-pyridinemethanol;
(6-aminopyridin-3-yl)methanol
精确分子量/精确质量:
124.06400
极性分子表面积/PSA:
59.14000
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:
MFCD06659089
InChI:
InChI=1/C6H8N2O/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2,(H2,7,8)

物化性质展开↓

密度:
1.257g/cm3
熔点:
120ºC
沸点:
320.2ºC at 760mmHg
闪点:
147.5ºC
折射率:
1.627
蒸汽压:
0.000134mmHg at 25°C
其它信息:

1. 熔点(ºC):120

安全信息展开↓

海关代码:
2933399090
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 3167-49-5

    6-氨基烟酸

  • ~71%

  • 113293-71-3

    (6-氨基-3-吡啶基)甲醇

  • 36052-24-1

    6-氨基烟酸甲酯

  • ~67%

  • 113293-71-3

    (6-氨基-3-吡啶基)甲醇

  • 866561-42-4

    acetic acid 6-(1,3-dioxo-1,3-dihydroisoindol-2-yl)pyridin-3-ylmethyl ester

  • ~30%

  • 113293-71-3

    (6-氨基-3-吡啶基)甲醇

MSDS 展开↓

Name: (6-Amino-3-pyridinyl)methanol Material Safety Data Sheet
Synonym:
CAS: 113293-71-3
Section 1 - Chemical Product   MSDS Name:(6-Amino-3-pyridinyl)methanol Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
113293-71-3 (6-Amino-3-pyridinyl)methanol 97+% 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:

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 113293-71-3: 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: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 119.5 - 120 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: C6H8N2O
Molecular Weight: 124.14

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, strong acids, acid chlorides.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 113293-71-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(6-Amino-3-pyridinyl)methanol - 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: 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 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 22 Do not breathe dust.
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# 113293-71-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 113293-71-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 113293-71-3 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:35.03

2、  摩尔体积(cm3/mol):98.7

3、  等张比容(90.2K):280.7

4、  表面张力(dyne/cm):65.3

5、  极化率(10-24cm3):13.88

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积59.1

7.重原子数量:9

8.表面电荷:0

9.复杂度:87.1

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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