5,8-二氢-1-萘酚

5,8-二氢-1-萘酚 基本信息
CAS号 27673-48-9 分子式 C10H10O
分子量 146.18600 精确质量  146.07300
PSA  20.23000 LogP  2.04700

基本信息 展开↓

CAS号:
27673-48-9
3D弹球模型:
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分子式:
C10H10O
分子量:
146.18600
中文名称:
5,8-二氢-1-萘酚
英文名称:
5,8-Dihydro-1-naphthol
中文别名:
5,8-二氢-1-萘酚;
5,8-二氢萘酚
英文别名:
5,8-Dihydro-1-naphthol;
5,8-dihydronaphthalen-1-ol
精确分子量/精确质量:
146.07300
极性分子表面积/PSA:
20.23000
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。
EINECS:
248-596-3
BRN:
1938446
InChI:
InChI=1/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2

生产制备方法及用途展开↓

制备方法


1. 由1-萘酚还原制备。

合成制备方法


1. 由1-萘酚还原制备。

用途简介


物化性质展开↓

外观与性状:
暗棕色固体
密度:
1.142 g/cm3
熔点:
70ºC
沸点:
264.8ºC at 760 mmHg
闪点:
119ºC
折射率:
1.612
蒸汽压:
0.00579mmHg at 25°C
稳定性相关:

1. 存在于主流烟气中。

其它信息:

1. 熔点(ºC):70.5~72

2. 沸点(ºC):120

安全信息展开↓

包装等级:
II
风险类别:
3.1
海关代码:
2906299090
危险类别码:
R11:Highly Flammable. R22:Harmful if swallowed. R36:Irritating to the eyes. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
安全说明:
S9-S16-S26-S29-S33-S60-S61
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 90-15-3

    1-萘酚

  • ~98%

  • 27673-48-9

    5,8-二氢-1-萘酚

  • 90-15-3

    1-萘酚

  • ~51%

  • 529-35-1

    四氢萘酚

  • +

  • 27673-48-9

    5,8-二氢-1-萘酚

  • 90-15-3

    1-萘酚

  • ~46%

  • 1429-22-7

    5,6-二氢萘-1-酚

  • +

  • 529-35-1

    四氢萘酚

MSDS 展开↓

Name: 5,8-Dihydro-1-Naphthol, 85%, Remainder 5,6,7,8-Tetrahydronaphthol Material Safety Data Sheet
Synonym: None known.
CAS: 27673-48-9
Section 1 - Chemical Product MSDS Name: 5,8-Dihydro-1-Naphthol, 85%, Remainder 5,6,7,8-Tetrahydronaphthol Material Safety Data Sheet
Synonym: None known.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
27673-48-9 5,8-Dihydro-1-Naphthol 85 248-596-3
Hazard Symbols: XI
Risk Phrases: 36/37/38
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.
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. 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 not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. 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# 27673-48-9: 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: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 70 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: C10H10O
Molecular Weight: 146.19
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.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 27673-48-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5,8-Dihydro-1-Naphthol - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
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 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 27673-48-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 27673-48-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 27673-48-9 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #5 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2906299090

概述:
2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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:44.52

2、  摩尔体积(cm3/mol):127.9

3、  等张比容(90.2K):339.9

4、  表面张力(dyne/cm):49.7

5、  极化率(10-24cm3):17.65

计算化学数据


1.疏水参数计算参考值(XlogP):2.7

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:12

6.拓扑分子极性表面积20.2

7.重原子数量:11

8.表面电荷:0

9.复杂度:162

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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